N-(3-methylbutyl)-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-methylbutyl)-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-isopentyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-methylbutyl)-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-methylbutyl)-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-isoamyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H24N2O2S MolecularWeight: 380.50316

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)N2CC=C

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C22H24N2O2S/c1-4-13-24-18-14-16(21(25)23-12-11-15(2)3)9-10-20(18)27-19-8-6-5-7-17(19)22(24)26/h4-10,14-15H,1,11-13H2,2-3H3,(H,23,25)