20885159 -OEChem-04262415332D 65 69 0 0 0 0 0 0 0999 V2000 15.0236 -0.2863 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9674 2.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9575 2.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 -0.3944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 -1.7491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4505 0.3634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5236 1.9043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1159 -0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2891 -1.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5534 -2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 0.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7604 -0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4961 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 -2.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 -2.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1862 1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 -0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -2.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1406 0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9096 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9001 1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3724 -0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1226 0.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3701 -0.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1471 1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9246 0.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5236 1.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1376 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6771 -0.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9066 0.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6748 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4008 0.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6231 0.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6234 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8613 -1.1316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -0.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -1.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -2.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0462 -2.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0910 0.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 0.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -2.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 -2.8027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4754 -0.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2532 -0.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7810 1.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0033 1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5861 -0.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1462 -0.7322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 -3.4103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7626 -2.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -1.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7787 2.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9195 -0.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5150 -1.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2546 2.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2686 2.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5322 -1.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4984 0.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1277 -0.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 30 1 0 0 0 0 2 19 2 0 0 0 0 3 31 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 52 1 0 0 0 0 7 25 1 0 0 0 0 7 31 1 0 0 0 0 7 61 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 8 37 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 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 16 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 53 1 0 0 0 0 18 21 2 0 0 0 0 18 54 1 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 30 33 2 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 33 35 1 0 0 0 0 33 63 1 0 0 0 0 34 35 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 M END > 20885159 > 1 > 707 > 5 > 2 > 7 > AAADceB7sABAAAAAAAAAAAAAAAAAAAAAAAA8YMEABYAAAAABUAAAHgQQAAAADAjB2AQwwYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIYDLg1ZGUIQhglgDoyYcciACOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA== > N-[3-(4-benzylpiperazin-1-yl)propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-oxo-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(4-benzylpiperazin-1-yl)propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(4-benzylpiperazin-1-yl)propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-oxidanylidene-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(4-benzylpiperazino)propyl]-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C28H30N4O2S/c33-27(22-11-12-26-24(19-22)30-28(34)23-9-4-5-10-25(23)35-26)29-13-6-14-31-15-17-32(18-16-31)20-21-7-2-1-3-8-21/h1-5,7-12,19H,6,13-18,20H2,(H,29,33)(H,30,34) > FUIUPZDBZTYBDF-UHFFFAOYSA-N > 3.9 > 486.20894739 > C28H30N4O2S > 486.6 > C1CN(CCN1CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)CC5=CC=CC=C5 > C1CN(CCN1CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)CC5=CC=CC=C5 > 90 > 486.20894739 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 17 8 16 18 8 17 20 8 18 21 8 20 22 8 21 22 8 23 24 8 23 26 8 24 25 8 25 27 8 26 28 8 27 28 8 29 30 8 29 32 8 30 33 8 32 34 8 33 35 8 34 35 8 $$$$