N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-isobutyl-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[(4,6-dimethyl-2-pyrimidinyl)methyl]-N-(2-mercaptophenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-isobutyl-N-(2-mercaptophenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C28H32N4OS MolecularWeight: 472.64488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C)C

InChI

InChI=1S/C28H32N4OS/c1-19(2)17-31-14-13-23(16-22-9-5-6-10-24(22)31)28(33)32(25-11-7-8-12-26(25)34)18-27-29-20(3)15-21(4)30-27/h5-12,15-16,19,34H,13-14,17-18H2,1-4H3