70483166 -OEChem-04252410112D 67 69 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 5.4641 2.0000 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 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 6.0000 0.0000 C 0 0 3 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 6.3301 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.5000 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 5.6900 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 5.7196 6.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 5.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 7.5000 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 28 1 0 0 0 0 1 32 1 0 0 0 0 2 18 2 0 0 0 0 3 29 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 29 1 0 0 0 0 6 59 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 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 47 1 0 0 0 0 15 48 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 17 20 2 0 0 0 0 17 50 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 24 26 2 0 0 0 0 24 55 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 57 1 0 0 0 0 30 31 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 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 M END > 70483166 > 1 > 573 > 5 > 1 > 11 > AAADcfB7MABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgQQAAAADAzF2ASywIPAAAiIAqVSUACCAAAlAhAIiAEIZMgIYDLglZGUIQhglADIyYccicCOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA== > 2-methylsulfanyl-N-[3-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]butanamide > 2-(methylthio)-N-[3-[1-oxo-5-(4-phenyl-1-piperazinyl)pentyl]phenyl]butanamide > 2-methylsulfanyl-N-[3-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]butanamide > 2-methylsulfanyl-N-[3-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]butanamide > 2-methylsulfanyl-N-[3-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]butanamide > 2-(methylthio)-N-[3-[5-(4-phenylpiperazino)pentanoyl]phenyl]butyramide > InChI=1S/C26H35N3O2S/c1-3-25(32-2)26(31)27-22-11-9-10-21(20-22)24(30)14-7-8-15-28-16-18-29(19-17-28)23-12-5-4-6-13-23/h4-6,9-13,20,25H,3,7-8,14-19H2,1-2H3,(H,27,31) > MBWNDSSQQKVCME-UHFFFAOYSA-N > 4.7 > 453.24499854 > C26H35N3O2S > 453.6 > CCC(C(=O)NC1=CC=CC(=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)SC > CCC(C(=O)NC1=CC=CC(=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)SC > 78 > 453.24499854 > 0 > 32 > 0 > 1 > 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 28 30 3 $$$$