46504343 -OEChem-04192409402D 83 86 0 1 0 0 0 0 0999 V2000 5.6455 -1.8493 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -1.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 1.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -6.6281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -6.6281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 5.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 0.8197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3854 -0.5892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5391 0.6107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -2.1281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 1.9423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 0.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9568 -0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 0.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -0.5892 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9513 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1324 1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -1.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6944 -1.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5336 0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -3.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -3.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -3.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -4.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -4.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -5.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 3.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 2.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -6.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 3.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -7.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6558 6.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 7.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1534 -8.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4747 8.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 1.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9983 1.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 -0.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -0.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3087 2.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5806 1.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7968 -0.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -0.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1441 0.8158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 0.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6669 -0.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7804 -0.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5086 -0.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7339 1.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0891 2.1427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 0.5665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -0.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4688 -0.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 0.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5984 1.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -3.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -3.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -4.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -4.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 3.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 2.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 5.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0412 3.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 -8.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -7.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1418 6.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 5.9595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5765 6.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 7.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 -7.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 -8.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4634 -8.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9763 8.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 8.6297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 7.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 20 2 0 0 0 0 3 25 2 0 0 0 0 4 34 1 0 0 0 0 4 38 1 0 0 0 0 5 34 2 0 0 0 0 6 37 1 0 0 0 0 6 39 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 31 1 0 0 0 0 11 65 1 0 0 0 0 12 15 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 18 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 19 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 22 25 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 26 63 1 0 0 0 0 27 29 2 0 0 0 0 27 64 1 0 0 0 0 28 30 2 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 35 1 0 0 0 0 32 68 1 0 0 0 0 33 36 2 0 0 0 0 33 69 1 0 0 0 0 35 37 2 0 0 0 0 35 70 1 0 0 0 0 36 37 1 0 0 0 0 36 71 1 0 0 0 0 38 41 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 40 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 42 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 M END > 46504343 > 1 > 913 > 8 > 1 > 14 > AAADcfB7uABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAABQAAAHgQQAAAADCzhmAYzzoPABACMAiXSWACCCAAlIggIiAGObMiMZjrE9buWOSjs1RPI6ae92SOeCEAAAAAAAAAQgAAAAAAAAAAAAAAAAA== > ethyl 4-[3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-imidazolidin-1-yl]benzoate > 4-[3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester > ethyl 4-[3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzoate > ethyl 4-[3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzoate > ethyl 4-[3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxidanylidene-4-[2-oxidanylidene-2-[(4-propoxyphenyl)amino]ethyl]-2-sulfanylidene-imidazolidin-1-yl]benzoate > 4-[5-keto-4-[2-keto-2-(4-propoxyanilino)ethyl]-3-[3-(4-methylpiperazino)propyl]-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester > InChI=1S/C31H41N5O5S/c1-4-21-41-26-13-9-24(10-14-26)32-28(37)22-27-29(38)36(25-11-7-23(8-12-25)30(39)40-5-2)31(42)35(27)16-6-15-34-19-17-33(3)18-20-34/h7-14,27H,4-6,15-22H2,1-3H3,(H,32,37) > XGQVDPGIVSTFAA-UHFFFAOYSA-N > 3.6 > 595.28284060 > C31H41N5O5S > 595.8 > CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C)C4=CC=C(C=C4)C(=O)OCC > CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C)C4=CC=C(C=C4)C(=O)OCC > 127 > 595.28284060 > 0 > 42 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 22 3 24 26 8 24 27 8 26 28 8 27 29 8 28 30 8 29 30 8 31 32 8 31 33 8 32 35 8 33 36 8 35 37 8 36 37 8 $$$$