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

Systemtic Name: N-butyl-5-[(4-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-6-oxo-5-(p-tolylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-5-[(4-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-5-[(4-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6-keto-5-(4-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=C(C=C4)C

Isomeric SMILES

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

InChI

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