N-[(1R)-2-(1H-imidazol-2-yl)-1-phenyl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(1R)-2-(1H-imidazol-2-yl)-1-phenyl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(1R)-2-(1H-imidazol-2-yl)-1-phenyl-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[(1R)-2-(1H-imidazol-2-yl)-1-phenyl-ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC(CC3=NC=CN3)C4=CC=CC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N[C@H](CC3=NC=CN3)C4=CC=CC=C4)NC1=O

InChI

InChI=1S/C21H20N4O2S/c26-20-8-11-28-18-7-6-15(12-17(18)24-20)21(27)25-16(13-19-22-9-10-23-19)14-4-2-1-3-5-14/h1-7,9-10,12,16H,8,11,13H2,(H,22,23)(H,24,26)(H,25,27)/t16-/m1/s1