8-chloranyl-6-methylidene-N-(1-phenylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-6-methylidene-N-(1-phenylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-methylene-N-(1-phenylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-methylene-N-(1-phenylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 8-chloro-6-methylidene-N-(1-phenylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-methylene-N-(1-phenylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H19ClN2OS MolecularWeight: 406.92776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Cl)C(=C)N3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Cl)C(=C)N3

InChI

InChI=1S/C23H19ClN2OS/c1-14(16-6-4-3-5-7-16)26-23(27)17-8-10-22-20(12-17)25-15(2)19-13-18(24)9-11-21(19)28-22/h3-14,25H,2H2,1H3,(H,26,27)