70458340 -OEChem-03282417552D 61 63 0 0 0 0 0 0 0999 V2000 2.8660 4.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 6.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 6.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 29 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 55 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 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 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 1 0 0 0 0 16 47 1 0 0 0 0 17 20 2 0 0 0 0 17 48 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 28 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 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 M END > 70458340 > 1 > 545 > 5 > 1 > 9 > AAADceB7MABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgQQAAAADAzB2ASywYPAAAiIAqVSUACCAAAlChAIiB0IZMgIYDLglZGUIQhglADIyYccicCOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > N-[2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]acetamide > N-[2-(methylthio)-5-[1-oxo-5-(4-phenyl-1-piperazinyl)pentyl]phenyl]acetamide > N-[2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]acetamide > N-[2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]acetamide > N-[2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]ethanamide > N-[2-(methylthio)-5-[5-(4-phenylpiperazino)pentanoyl]phenyl]acetamide > InChI=1S/C24H31N3O2S/c1-19(28)25-22-18-20(11-12-24(22)30-2)23(29)10-6-7-13-26-14-16-27(17-15-26)21-8-4-3-5-9-21/h3-5,8-9,11-12,18H,6-7,10,13-17H2,1-2H3,(H,25,28) > KWNDGXRGVYXXDR-UHFFFAOYSA-N > 3.6 > 425.21369841 > C24H31N3O2S > 425.6 > CC(=O)NC1=C(C=CC(=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)SC > CC(=O)NC1=C(C=CC(=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)SC > 78 > 425.21369841 > 0 > 30 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 8 14 17 8 16 19 8 17 20 8 19 22 8 20 22 8 21 23 8 21 24 8 23 25 8 24 26 8 25 27 8 26 27 8 $$$$