4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C23H27N3O4S2/c1-3-26-21-19(30-2)9-8-10-20(21)31-23(26)24-22(27)17-11-13-18(14-12-17)32(28,29)25-15-6-4-5-7-16-25/h8-14H,3-7,15-16H2,1-2H3