4-oxidanylidene-N-[3-(propanoylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-(propanoylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[3-(propanoylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[3-(1-oxopropylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[3-(propanoylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(3-propionamidophenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H19N3O3S/c1-2-17(23)20-13-4-3-5-14(11-13)21-19(25)12-6-7-16-15(10-12)22-18(24)8-9-26-16/h3-7,10-11H,2,8-9H2,1H3,(H,20,23)(H,21,25)(H,22,24)