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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21ClN2O2S MolecularWeight: 436.95374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C24H21ClN2O2S/c1-2-27-20-15-17(23(28)26-14-13-16-7-10-18(25)11-8-16)9-12-22(20)30-21-6-4-3-5-19(21)24(27)29/h3-12,15H,2,13-14H2,1H3,(H,26,28)