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

Systemtic Name: N-butyl-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-butyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-butyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-3-5-12-22-20(24)15-10-11-19-17(14-15)23(13-4-2)21(25)16-8-6-7-9-18(16)26-19/h4,6-11,14H,2-3,5,12-13H2,1H3,(H,22,24)