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

Systemtic Name: 5-[(2-methylphenyl)methyl]-6-oxidanylidene-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-benzyl-5-(o-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-methylphenyl)methyl]-6-oxo-N-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-benzyl-5-[(2-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-benzyl-6-keto-5-(2-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H24N2O2S MolecularWeight: 464.57806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C29H24N2O2S/c1-20-9-5-6-12-23(20)19-31-25-17-22(28(32)30-18-21-10-3-2-4-11-21)15-16-27(25)34-26-14-8-7-13-24(26)29(31)33/h2-17H,18-19H2,1H3,(H,30,32)