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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide Formula: C24H29N3O5S2 MolecularWeight: 503.63416

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S2/c1-4-27-21-19(31-2)13-14-20(32-3)22(21)33-24(27)25-23(28)17-9-11-18(12-10-17)34(29,30)26-15-7-5-6-8-16-26/h9-14H,4-8,15-16H2,1-3H3