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

Systemtic Name: N-(3-methylbutyl)-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-isopentyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-methylbutyl)-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-(3-methylbutyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-N-isoamyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2O2S MolecularWeight: 430.56184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O2S/c1-18(2)14-15-27-25(29)20-12-13-24-22(16-20)28(17-19-8-4-3-5-9-19)26(30)21-10-6-7-11-23(21)31-24/h3-13,16,18H,14-15,17H2,1-2H3,(H,27,29)