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

Systemtic Name: 5-ethyl-N-(3-methylbutyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-N-isopentyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-N-(3-methylbutyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-N-(3-methylbutyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-N-isoamyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCCC(C)C)SC3=CC=CC=C3C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCCC(C)C)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C21H24N2O2S/c1-4-23-17-13-15(20(24)22-12-11-14(2)3)9-10-19(17)26-18-8-6-5-7-16(18)21(23)25/h5-10,13-14H,4,11-12H2,1-3H3,(H,22,24)