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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCCN3C=CC=N3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCCN3C=CC=N3)NC1=O

InChI

InChI=1S/C16H18N4O2S/c21-15-5-10-23-14-4-3-12(11-13(14)19-15)16(22)17-6-1-8-20-9-2-7-18-20/h2-4,7,9,11H,1,5-6,8,10H2,(H,17,22)(H,19,21)