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

Systemtic Name: N-[(4-chloranylpyridin-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[(4-chloro-2-pyridyl)methyl]-1-isobutyl-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[(4-chloro-2-pyridinyl)methyl]-N-(2-mercaptophenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[(4-chloropyridin-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[(4-chloro-2-pyridyl)methyl]-1-isobutyl-N-(2-mercaptophenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C27H28ClN3OS MolecularWeight: 478.04872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(CC3=NC=CC(=C3)Cl)C4=CC=CC=C4S

Isomeric SMILES

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(CC3=NC=CC(=C3)Cl)C4=CC=CC=C4S

InChI

InChI=1S/C27H28ClN3OS/c1-19(2)17-30-14-12-21(15-20-7-3-4-8-24(20)30)27(32)31(25-9-5-6-10-26(25)33)18-23-16-22(28)11-13-29-23/h3-11,13,15-16,19,33H,12,14,17-18H2,1-2H3