4-(azepan-1-ylsulfonyl)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC)OC

Isomeric SMILES

CN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC)OC

InChI

InChI=1S/C23H27N3O5S2/c1-25-20-18(30-2)12-13-19(31-3)21(20)32-23(25)24-22(27)16-8-10-17(11-9-16)33(28,29)26-14-6-4-5-7-15-26/h8-13H,4-7,14-15H2,1-3H3