46504325 -OEChem-04252401342D 78 81 0 1 0 0 0 0 0999 V2000 5.6455 -1.4448 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -1.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 1.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -6.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -6.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 6.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 1.2242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3854 -0.1847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -1.7236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 2.3468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9568 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 2.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9513 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1324 1.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5391 1.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -0.1847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0764 -1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6944 -1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -2.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 1.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -3.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -3.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -4.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -4.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -4.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 3.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 4.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -5.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 4.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 4.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -7.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6558 6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1534 -7.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 7.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 0.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -0.3078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3087 2.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5806 2.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 1.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9983 1.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7804 -0.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5086 -0.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7339 2.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0891 2.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9698 0.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0531 1.3619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7968 -0.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 0.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1441 1.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6669 0.3677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 0.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 0.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -2.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -2.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -4.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -4.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 4.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 2.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 5.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0412 4.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 -7.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -7.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1418 7.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 6.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 -7.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 -8.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4634 -8.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6289 7.4714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 8.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4961 7.9758 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 24 2 0 0 0 0 4 33 1 0 0 0 0 4 37 1 0 0 0 0 5 33 2 0 0 0 0 6 36 1 0 0 0 0 6 38 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 30 1 0 0 0 0 10 62 1 0 0 0 0 11 14 1 0 0 0 0 11 41 1 0 0 0 0 11 42 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 17 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 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 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 57 1 0 0 0 0 22 24 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 26 28 2 0 0 0 0 26 61 1 0 0 0 0 27 29 2 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 33 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 31 65 1 0 0 0 0 32 35 2 0 0 0 0 32 66 1 0 0 0 0 34 36 2 0 0 0 0 34 67 1 0 0 0 0 35 36 1 0 0 0 0 35 68 1 0 0 0 0 37 39 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 40 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 M END > 46504325 > 1 > 866 > 7 > 1 > 13 > AAADcfB7uABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAABQAAAHgQQAAAADCzhmAYzzoPABACMAiXSWACCCAAlIggIiAGObMiMZjrE9buWOSjs1RPI6ae92SOeCEAAAAAAAAAQgAAAAAAAAAAAAAAAAA== > ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxo-ethyl]-5-oxo-3-[3-(1-piperidyl)propyl]-2-thioxo-imidazolidin-1-yl]benzoate > 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-[3-(1-piperidinyl)propyl]-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester > ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-1-yl]benzoate > ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-1-yl]benzoate > ethyl 4-[4-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-3-(3-piperidin-1-ylpropyl)-2-sulfanylidene-imidazolidin-1-yl]benzoate > 4-[5-keto-4-[2-keto-2-(p-phenetidino)ethyl]-3-(3-piperidinopropyl)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester > InChI=1S/C30H38N4O5S/c1-3-38-25-15-11-23(12-16-25)31-27(35)21-26-28(36)34(24-13-9-22(10-14-24)29(37)39-4-2)30(40)33(26)20-8-19-32-17-6-5-7-18-32/h9-16,26H,3-8,17-21H2,1-2H3,(H,31,35) > SHQBKRDRPDDUQR-UHFFFAOYSA-N > 4.1 > 566.25629150 > C30H38N4O5S > 566.7 > CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCCCC3)C4=CC=C(C=C4)C(=O)OCC > CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCCCC3)C4=CC=C(C=C4)C(=O)OCC > 124 > 566.25629150 > 0 > 40 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 22 3 23 25 8 23 26 8 25 27 8 26 28 8 27 29 8 28 29 8 30 31 8 30 32 8 31 34 8 32 35 8 34 36 8 35 36 8 $$$$