46374092 -OEChem-05032420202D 70 74 0 0 0 0 0 0 0999 V2000 11.1388 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6029 -4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8708 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 -1.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7407 -0.5275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1388 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3162 -0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 -2.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3617 -0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0087 -0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6087 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2728 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3788 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2728 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1388 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3788 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0048 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0048 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0048 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8708 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0048 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8708 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8708 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8708 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7369 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7369 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7369 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0048 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7369 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0048 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8708 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5352 -2.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8149 -1.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -0.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0041 0.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2684 -3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0063 -3.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -0.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7483 -0.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 -2.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -3.1903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 -1.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5471 -2.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4054 -0.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 -0.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4799 -1.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2770 -1.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7383 0.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3860 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5282 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9267 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3860 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4078 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4679 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8708 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8708 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2738 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2738 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4679 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2738 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4679 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8708 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 33 1 0 0 0 0 3 16 2 0 0 0 0 4 24 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 55 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 13 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 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 20 2 0 0 0 0 19 56 1 0 0 0 0 20 23 1 0 0 0 0 21 26 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 2 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 61 1 0 0 0 0 28 31 1 0 0 0 0 28 62 1 0 0 0 0 29 32 2 0 0 0 0 29 63 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 33 2 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 37 2 0 0 0 0 35 67 1 0 0 0 0 36 38 2 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 M END > 46374092 > 1 > 816 > 5 > 1 > 7 > AAADcfB7MQBAAAAAAAAAAAAAAAAAAAAAAAA8YMEABYAAAACxUAAAHwQQAAAADAjB2AwwwYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIYDLglZGUIQhglgDoyYcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > (2Z)-N-[2-(azepan-1-yl)ethyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide > (2Z)-N-[2-(1-azepanyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-2-(phenylmethylene)-1,4-benzothiazine-6-carboxamide > (2Z)-N-[2-(azepan-1-yl)ethyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide > (2Z)-N-[2-(azepan-1-yl)ethyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide > (2Z)-N-[2-(azepan-1-yl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazine-6-carboxamide > (2Z)-N-[2-(azepan-1-yl)ethyl]-2-benzal-4-(4-fluorobenzyl)-3-keto-1,4-benzothiazine-6-carboxamide > InChI=1S/C31H32FN3O2S/c32-26-13-10-24(11-14-26)22-35-27-21-25(30(36)33-16-19-34-17-6-1-2-7-18-34)12-15-28(27)38-29(31(35)37)20-23-8-4-3-5-9-23/h3-5,8-15,20-21H,1-2,6-7,16-19,22H2,(H,33,36)/b29-20- > SEDBWQZCSWCKCN-BRPDVVIDSA-N > 5.8 > 529.21992661 > C31H32FN3O2S > 529.7 > C1CCCN(CC1)CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3CC5=CC=C(C=C5)F > C1CCCN(CC1)CCNC(=O)C2=CC3=C(C=C2)S/C(=C\C4=CC=CC=C4)/C(=O)N3CC5=CC=C(C=C5)F > 78 > 529.21992661 > 0 > 38 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 17 19 8 17 22 8 18 19 8 18 20 8 20 23 8 22 23 8 26 28 8 26 29 8 28 31 8 29 32 8 30 34 8 30 35 8 31 33 8 32 33 8 34 36 8 35 37 8 36 38 8 37 38 8 $$$$