N-heptan-2-yl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-heptan-2-yl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(1-methylhexyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-heptan-2-yl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-heptan-2-yl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(1-methylhexyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C17H24N2O2S/c1-3-4-5-6-12(2)18-17(21)13-7-8-15-14(11-13)19-16(20)9-10-22-15/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,21)(H,19,20)