N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H18N4O2S2 MolecularWeight: 362.46972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C16H18N4O2S2/c1-20-7-5-18-16(20)24-9-6-17-15(22)11-2-3-13-12(10-11)19-14(21)4-8-23-13/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,17,22)(H,19,21)