24792848 -OEChem-05062421322D 67 70 0 0 0 0 0 0 0999 V2000 12.4544 1.4638 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 -0.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9185 -1.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6506 -0.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -0.5738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 -0.0637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 -0.5362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 -0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9243 -0.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -0.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 -0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3204 0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3204 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0525 0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0525 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9185 1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9185 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7845 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7845 0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7845 -2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5166 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 0.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1919 0.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6784 -2.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0742 -1.4637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 0.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -0.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -2.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -2.5505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 0.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 -2.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -2.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7956 -1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5926 -1.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -2.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0540 0.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7016 -1.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2526 1.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7016 2.1184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 -1.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 2.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5156 -0.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9185 2.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3215 1.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4746 -2.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3215 -2.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0945 -1.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8266 -0.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0535 0.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2066 0.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 25 1 0 0 0 0 2 18 2 0 0 0 0 3 26 2 0 0 0 0 4 31 1 0 0 0 0 4 34 1 0 0 0 0 5 32 1 0 0 0 0 5 35 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 53 1 0 0 0 0 9 21 1 0 0 0 0 9 26 1 0 0 0 0 9 57 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 33 2 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 24792848 > 1 > 758 > 7 > 2 > 8 > AAADcfB7uABAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACxQAAAHgQQAAAADAzB2AYyx4PABAiIAiVSUACCCAAlKhAIiJ0O7MgNZjLktZuUMSpk1hHq6YecyBCOMAABQAAAQQBgAAKAAACCAAAAAAAAAA== > (2E)-2-[(3,4-dimethoxyphenyl)methylene]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide > (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-[2-(4-ethyl-1-piperazinyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide > (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide > (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide > (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide > (2E)-N-[2-(4-ethylpiperazino)ethyl]-3-keto-2-veratrylidene-4H-1,4-benzothiazine-6-carboxamide > InChI=1S/C26H32N4O4S/c1-4-29-11-13-30(14-12-29)10-9-27-25(31)19-6-8-23-20(17-19)28-26(32)24(35-23)16-18-5-7-21(33-2)22(15-18)34-3/h5-8,15-17H,4,9-14H2,1-3H3,(H,27,31)(H,28,32)/b24-16+ > MALLHURRTJCPBM-LFVJCYFKSA-N > 3 > 496.21442669 > C26H32N4O4S > 496.6 > CCN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=C(C=C4)OC)OC)C(=O)N3 > CCN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC(=C(C=C4)OC)OC)/C(=O)N3 > 108 > 496.21442669 > 0 > 35 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 19 20 8 19 22 8 20 21 8 21 23 8 22 24 8 23 24 8 28 29 8 28 30 8 29 31 8 30 33 8 31 32 8 32 33 8 $$$$