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

Systemtic Name: N-(1-methylpyrazol-3-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(1-methylpyrazol-3-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(1-methyl-3-pyrazolyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(1-methylpyrazol-3-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(1-methylpyrazol-3-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2S/c1-18-6-4-12(17-18)16-14(20)9-2-3-11-10(8-9)15-13(19)5-7-21-11/h2-4,6,8H,5,7H2,1H3,(H,15,19)(H,16,17,20)