5-[(4-chlorophenyl)methyl]-6,11-bis(oxidanylidene)-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(4-chlorophenyl)methyl]-6,11-bis(oxidanylidene)-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-chlorophenyl)methyl]-6,11-dioxo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-chlorophenyl)methyl]-6,11-dioxo-N-(1-phenylethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-chlorophenyl)methyl]-6,11-dioxo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(4-chlorobenzyl)-6,11-diketo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H23ClN2O3S MolecularWeight: 515.02252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H23ClN2O3S/c1-19(21-7-3-2-4-8-21)31-28(33)22-13-16-27-25(17-22)32(18-20-11-14-23(30)15-12-20)29(34)24-9-5-6-10-26(24)36(27)35/h2-17,19H,18H2,1H3,(H,31,33)