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

Systemtic Name: N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(4-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H22N4O3S/c1-26-11-10-23-21(26)20(14-3-6-16(29-2)7-4-14)25-22(28)15-5-8-18-17(13-15)24-19(27)9-12-30-18/h3-8,10-11,13,20H,9,12H2,1-2H3,(H,24,27)(H,25,28)