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

Systemtic Name: 5-[(2-methylphenyl)methyl]-6-oxidanylidene-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-(o-tolylmethyl)-6-oxo-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-methylphenyl)methyl]-6-oxo-N-phenethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-methylphenyl)methyl]-6-oxo-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-(2-methylbenzyl)-N-phenethyl-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)NCCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NCCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C30H26N2O2S/c1-21-9-5-6-12-24(21)20-32-26-19-23(29(33)31-18-17-22-10-3-2-4-11-22)15-16-28(26)35-27-14-8-7-13-25(27)30(32)34/h2-16,19H,17-18,20H2,1H3,(H,31,33)