70483310 -OEChem-05112422562D 64 66 0 1 0 0 0 0 0999 V2000 8.0622 6.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 7.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 5.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 31 1 0 0 0 0 2 18 2 0 0 0 0 3 28 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 25 1 0 0 0 0 6 28 1 0 0 0 0 6 57 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 19 1 0 0 0 0 16 48 1 0 0 0 0 17 20 2 0 0 0 0 17 49 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 M END > 70483310 > 1 > 559 > 5 > 1 > 10 > AAADcfB7MABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgQQAAAADAzF2ASywIPAAAiIAqVSUACCAAAlAhAIiAEIZMgIYDLAlZGUIQhglADIyYccicCOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA== > 2-methylsulfanyl-N-[3-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]propanamide > 2-(methylthio)-N-[3-[1-oxo-5-(4-phenyl-1-piperazinyl)pentyl]phenyl]propanamide > 2-methylsulfanyl-N-[3-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]propanamide > 2-methylsulfanyl-N-[3-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]propanamide > 2-methylsulfanyl-N-[3-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]propanamide > 2-(methylthio)-N-[3-[5-(4-phenylpiperazino)pentanoyl]phenyl]propionamide > InChI=1S/C25H33N3O2S/c1-20(31-2)25(30)26-22-10-8-9-21(19-22)24(29)13-6-7-14-27-15-17-28(18-16-27)23-11-4-3-5-12-23/h3-5,8-12,19-20H,6-7,13-18H2,1-2H3,(H,26,30) > DNYNFHQVCZMBFH-UHFFFAOYSA-N > 4.1 > 439.22934848 > C25H33N3O2S > 439.6 > CC(C(=O)NC1=CC=CC(=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)SC > CC(C(=O)NC1=CC=CC(=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)SC > 78 > 439.22934848 > 0 > 31 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 8 14 17 8 16 19 8 17 20 8 19 21 8 20 21 8 22 23 8 22 24 8 23 25 8 24 26 8 25 27 8 26 27 8 29 30 3 $$$$