N-[(1-methylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[(1-methylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[(1-methylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-(2-mercaptophenyl)-N-[(1-methyl-2-imidazolyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-(2-mercaptophenyl)-N-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

Isomeric SMILES

CN1C=CN=C1CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

InChI

InChI=1S/C22H22N4OS/c1-25-13-12-24-21(25)15-26(19-8-4-5-9-20(19)28)22(27)17-10-11-23-18-7-3-2-6-16(18)14-17/h2-9,12-14,23,28H,10-11,15H2,1H3