58303790 -OEChem-05072418112D 68 72 0 0 0 0 0 0 0999 V2000 15.3218 0.5403 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2656 2.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2557 3.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3685 0.4322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 -0.9225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7487 1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8218 2.7309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5872 -0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6784 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8516 -1.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0586 0.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1614 -1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 -2.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4714 -1.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 -3.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -2.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -3.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4843 1.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4388 1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2078 2.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1983 1.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6705 0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4208 0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6682 0.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4453 1.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2227 0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8218 2.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4358 2.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9753 0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2048 1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9730 0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 1.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9213 1.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9216 -1.0657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1595 -0.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 0.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 -0.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -1.7716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3443 -1.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3891 1.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 1.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7736 0.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5513 0.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 2.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3015 1.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0714 -0.6964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 -2.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 -1.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7802 -3.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8843 0.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 -4.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4472 -4.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -2.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -3.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -3.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0768 2.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2177 0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8132 -0.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5528 3.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5667 2.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8303 -0.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7965 1.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4258 0.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 31 1 0 0 0 0 2 22 2 0 0 0 0 3 32 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 14 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 6 55 1 0 0 0 0 7 26 1 0 0 0 0 7 32 1 0 0 0 0 7 64 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 17 19 2 0 0 0 0 17 52 1 0 0 0 0 18 20 2 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 2 0 0 0 0 31 34 2 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 M END > 58303790 > 1 > 735 > 5 > 2 > 7 > AAADcfB7sABAAAAAAAAAAAAAAAAAAAAAAAA8YMEABYAAAAABUAAAHgQQAAAADAjB2AQywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIYDLg1ZGUIQhglgDoyYcciICOGAAAQAAEAQAwAACAAAgCAAAAAAAAAA== > N-[3-[4-(4-ethylphenyl)piperazin-1-yl]propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[4-(4-ethylphenyl)-1-piperazinyl]propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[4-(4-ethylphenyl)piperazin-1-yl]propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[4-(4-ethylphenyl)piperazin-1-yl]propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[4-(4-ethylphenyl)piperazin-1-yl]propyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[4-(4-ethylphenyl)piperazino]propyl]-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C29H32N4O2S/c1-2-21-8-11-23(12-9-21)33-18-16-32(17-19-33)15-5-14-30-28(34)22-10-13-27-25(20-22)31-29(35)24-6-3-4-7-26(24)36-27/h3-4,6-13,20H,2,5,14-19H2,1H3,(H,30,34)(H,31,35) > LEHOPRYPBGTZAJ-UHFFFAOYSA-N > 5 > 500.22459745 > C29H32N4O2S > 500.7 > CCC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4 > CCC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4 > 90 > 500.22459745 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 8 14 17 8 16 18 8 17 19 8 18 20 8 19 20 8 23 25 8 23 27 8 25 26 8 26 28 8 27 29 8 28 29 8 30 31 8 30 33 8 31 34 8 33 35 8 34 36 8 35 36 8 $$$$