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

Systemtic Name: 5-methyl-N-(3-methylbutyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-isopentyl-5-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-methyl-N-(3-methylbutyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-methyl-N-(3-methylbutyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-isoamyl-6-keto-5-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C20H22N2O2S/c1-13(2)10-11-21-19(23)14-8-9-18-16(12-14)22(3)20(24)15-6-4-5-7-17(15)25-18/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)