N-[2-(2,4-dimethoxyphenyl)ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)OC

InChI

InChI=1S/C24H22N2O4S/c1-29-17-9-7-15(20(14-17)30-2)11-12-25-23(27)16-8-10-22-19(13-16)26-24(28)18-5-3-4-6-21(18)31-22/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,26,28)