4-(azepan-1-ylsulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1-methyl-2-benzo[e][1,3]benzothiazolylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C25H25N3O3S2/c1-27-23-21-9-5-4-8-18(21)12-15-22(23)32-25(27)26-24(29)19-10-13-20(14-11-19)33(30,31)28-16-6-2-3-7-17-28/h4-5,8-15H,2-3,6-7,16-17H2,1H3