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C 0 0 0 0 0 0 0 0 0 0 0 0 12.5444 -1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9899 -2.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8390 2.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9922 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 -0.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2701 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7574 -0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 -4.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2969 -2.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4023 3.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3995 3.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8334 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 2.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5264 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2946 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9628 4.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7108 -1.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -1.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2657 1.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2061 0.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0952 -2.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 -2.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4008 -0.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6231 -0.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3985 0.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 -1.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -1.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2432 -3.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 -3.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1348 -3.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2059 -2.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5393 -2.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5391 0.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8884 0.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -2.3485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 -3.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -3.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7532 -3.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7171 -4.4988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5931 -4.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1520 -3.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1333 3.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4517 2.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8881 3.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2235 2.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7954 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1182 -1.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7475 -2.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4751 3.7296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3121 4.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4506 4.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 2 15 2 0 0 0 0 4 25 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 7 52 1 0 0 0 0 8 12 2 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 14 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 22 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 23 2 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 27 2 0 0 0 0 18 28 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 29 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 30 2 0 0 0 0 22 24 2 0 0 0 0 22 51 1 0 0 0 0 23 31 1 0 0 0 0 23 34 1 0 0 0 0 24 53 1 0 0 0 0 26 33 2 0 0 0 0 26 54 1 0 0 0 0 27 35 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 36 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 36 2 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 M END > 56663535 > 1 > 803 > 5 > 1 > 9 > AAADcfB7MABAAAAAAAAAAAAAAAAAAAAAAAAwYMAABYAAAAABUAAAHgQQAAAADAjB2AQywYPAAAqIAiVSUEDCAAAlChAIiJ0IZMgIIDLg1ZGEIQhglgDoyYcciMCO0AACQAAUAQCgAASAACgCAAAAAAAAAA== > N-[3-(diethylamino)propyl]-5-[(2,4-dimethylphenyl)methyl]-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(diethylamino)propyl]-5-[(2,4-dimethylphenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide > N-[3-(diethylamino)propyl]-5-[(2,4-dimethylphenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(diethylamino)propyl]-5-[(2,4-dimethylphenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(diethylamino)propyl]-5-[(2,4-dimethylphenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(diethylamino)propyl]-5-(2,4-dimethylbenzyl)-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C30H35N3O3S/c1-5-32(6-2)17-9-16-31-29(34)23-14-15-28-26(19-23)33(20-24-13-12-21(3)18-22(24)4)30(35)25-10-7-8-11-27(25)37(28)36/h7-8,10-15,18-19H,5-6,9,16-17,20H2,1-4H3,(H,31,34) > FZXIWDFNEZVGIF-UHFFFAOYSA-N > 4.4 > 517.23991316 > C30H35N3O3S > 517.7 > CCN(CC)CCCNC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=C(C=C(C=C4)C)C > CCN(CC)CCCNC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=C(C=C(C=C4)C)C > 88.9 > 517.23991316 > 0 > 37 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 21 3 12 22 8 14 23 8 14 26 8 16 20 8 17 21 8 17 27 8 20 24 8 21 30 8 22 24 8 23 31 8 26 33 8 27 35 8 30 36 8 31 32 8 32 33 8 35 36 8 8 12 8 8 16 8 $$$$