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

Systemtic Name: N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[(1-isobutylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-(2-mercaptophenyl)-N-[[1-(2-methylpropyl)-2-imidazolyl]methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[(1-isobutylimidazol-2-yl)methyl]-N-(2-mercaptophenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4OS/c1-18(2)16-28-14-13-27-24(28)17-29(22-9-5-6-10-23(22)31)25(30)20-11-12-26-21-8-4-3-7-19(21)15-20/h3-10,13-15,18,26,31H,11-12,16-17H2,1-2H3