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

Systemtic Name: 2-[3-(cyclopropylmethyl)imidazol-4-yl]-N-methyl-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 2-[3-(cyclopropylmethyl)imidazol-4-yl]-1-isobutyl-N-methyl-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 2-[3-(cyclopropylmethyl)-4-imidazolyl]-N-(2-mercaptophenyl)-N-methyl-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 2-[3-(cyclopropylmethyl)imidazol-4-yl]-N-methyl-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 2-[3-(cyclopropylmethyl)imidazol-4-yl]-1-isobutyl-N-(2-mercaptophenyl)-N-methyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C29H34N4OS MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(CC(=CC2=CC=CC=C21)C(=O)N(C)C3=CC=CC=C3S)C4=CN=CN4CC5CC5

Isomeric SMILES

CC(C)CN1C(CC(=CC2=CC=CC=C21)C(=O)N(C)C3=CC=CC=C3S)C4=CN=CN4CC5CC5

InChI

InChI=1S/C29H34N4OS/c1-20(2)17-33-24-9-5-4-8-22(24)14-23(29(34)31(3)25-10-6-7-11-28(25)35)15-26(33)27-16-30-19-32(27)18-21-12-13-21/h4-11,14,16,19-21,26,35H,12-13,15,17-18H2,1-3H3