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

Systemtic Name: N-butyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-5-(m-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-5-[(3-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-5-[(3-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6-keto-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2O2S MolecularWeight: 430.56184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC(=C4)C

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC(=C4)C

InChI

InChI=1S/C26H26N2O2S/c1-3-4-14-27-25(29)20-12-13-24-22(16-20)28(17-19-9-7-8-18(2)15-19)26(30)21-10-5-6-11-23(21)31-24/h5-13,15-16H,3-4,14,17H2,1-2H3,(H,27,29)