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

Systemtic Name: N-(2-imidazol-1-ylethyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(2-imidazol-1-ylethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(1-imidazolyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(2-imidazol-1-ylethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(2-imidazol-1-ylethyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCN3C=CN=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCN3C=CN=C3)NC1=O

InChI

InChI=1S/C15H16N4O2S/c20-14-3-8-22-13-2-1-11(9-12(13)18-14)15(21)17-5-7-19-6-4-16-10-19/h1-2,4,6,9-10H,3,5,7-8H2,(H,17,21)(H,18,20)