4-oxidanylidene-N-(1-pyrazol-1-ylpropan-2-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(1-pyrazol-1-ylpropan-2-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(1-methyl-2-pyrazol-1-yl-ethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[1-(1-pyrazolyl)propan-2-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(1-pyrazol-1-ylpropan-2-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(1-methyl-2-pyrazol-1-yl-ethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=N1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC(CN1C=CC=N1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C16H18N4O2S/c1-11(10-20-7-2-6-17-20)18-16(22)12-3-4-14-13(9-12)19-15(21)5-8-23-14/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,18,22)(H,19,21)