4-oxidanylidene-N-(1-pyridin-4-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(1-pyridin-4-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[1-(4-pyridyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-(1-pyridin-4-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(1-pyridin-4-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[1-(4-pyridyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC(C1=CC=NC=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C17H17N3O2S/c1-11(12-4-7-18-8-5-12)19-17(22)13-2-3-15-14(10-13)20-16(21)6-9-23-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,22)(H,20,21)