5-[(2-methylphenyl)methyl]-6-oxidanylidene-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(2-methylphenyl)methyl]-6-oxidanylidene-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-(o-tolylmethyl)-6-oxo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-methylphenyl)methyl]-6-oxo-N-(1-phenylethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-methylphenyl)methyl]-6-oxo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-(2-methylbenzyl)-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H26N2O2S MolecularWeight: 478.60464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NC(C)C4=CC=CC=C4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NC(C)C4=CC=CC=C4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C30H26N2O2S/c1-20-10-6-7-13-24(20)19-32-26-18-23(29(33)31-21(2)22-11-4-3-5-12-22)16-17-28(26)35-27-15-9-8-14-25(27)30(32)34/h3-18,21H,19H2,1-2H3,(H,31,33)