67378974 -OEChem-05042414182D 76 80 0 0 0 0 0 0 0999 V2000 12.0118 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4856 -1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 -0.0408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.0275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0118 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 -0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2206 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 -0.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4849 1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0176 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 -0.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7497 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4817 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1458 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2519 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0118 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1458 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2519 1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8779 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8779 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8779 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8779 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6099 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6099 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6099 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8779 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6099 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8779 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 -1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -1.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8137 0.7762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5285 1.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7562 -0.4110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -0.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 1.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 2.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 1.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4891 0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5406 2.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 1.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6209 -1.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 -1.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2784 0.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4814 0.4392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -1.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -1.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 0.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2590 -1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4013 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7998 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8101 1.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2590 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3409 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2808 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1468 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1468 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1239 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3639 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1468 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3409 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1468 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3409 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 16 2 0 0 0 0 3 24 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 58 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 10 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 11 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 56 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 59 1 0 0 0 0 20 25 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 3 0 0 0 27 30 2 0 0 0 0 27 64 1 0 0 0 0 28 31 1 0 0 0 0 28 65 1 0 0 0 0 29 33 1 0 0 0 0 29 66 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 37 1 0 0 0 0 35 72 1 0 0 0 0 36 38 2 0 0 0 0 36 73 1 0 0 0 0 37 39 2 0 0 0 0 37 74 1 0 0 0 0 38 39 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 M END > 67378974 > 1 > 833 > 4 > 1 > 8 > AAADcfB/MABAAAAAAAAAAAAAAAAAAAAAAAA8YMEABYAAAACxUAAAHgQQAAAADAjB2AQywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIIDLg1ZGEIQhglgDoyYcciECOEAACQAAAAQAgAASAAAACAAAAAAAAAA== > N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-(m-tolylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide > N-[3-(1-azepanyl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylene)-1,4-benzothiazine-6-carboxamide > N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide > N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide > N-[3-(azepan-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazine-6-carboxamide > N-[3-(azepan-1-yl)propyl]-2-benzal-3-keto-4-(3-methylbenzyl)-1,4-benzothiazine-6-carboxamide > InChI=1S/C33H37N3O2S/c1-25-11-9-14-27(21-25)24-36-29-23-28(32(37)34-17-10-20-35-18-7-2-3-8-19-35)15-16-30(29)39-31(33(36)38)22-26-12-5-4-6-13-26/h4-6,9,11-16,21-23H,2-3,7-8,10,17-20,24H2,1H3,(H,34,37) > PRHVFPJWIANYKA-UHFFFAOYSA-N > 6.5 > 539.26064861 > C33H37N3O2S > 539.7 > CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN4CCCCCC4)SC(=CC5=CC=CC=C5)C2=O > CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN4CCCCCC4)SC(=CC5=CC=CC=C5)C2=O > 78 > 539.26064861 > 0 > 39 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 17 19 8 17 22 8 18 19 8 18 21 8 21 23 8 22 23 8 25 27 8 25 28 8 26 29 1 27 30 8 28 31 8 30 32 8 31 32 8 33 35 8 33 36 8 35 37 8 36 38 8 37 39 8 38 39 8 $$$$