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

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)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:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H20N4O2S/c1-14(15-2-5-17(6-3-15)25-10-9-22-13-25)23-21(27)16-4-7-19-18(12-16)24-20(26)8-11-28-19/h2-7,9-10,12-14H,8,11H2,1H3,(H,23,27)(H,24,26)