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

Systemtic Name: N-[(4-ethoxypyridin-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[(4-ethoxy-2-pyridyl)methyl]-1-isobutyl-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[(4-ethoxy-2-pyridinyl)methyl]-N-(2-mercaptophenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[(4-ethoxypyridin-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[(4-ethoxy-2-pyridyl)methyl]-1-isobutyl-N-(2-mercaptophenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C29H33N3O2S MolecularWeight: 487.65622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC=C1)CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C

Isomeric SMILES

CCOC1=CC(=NC=C1)CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C

InChI

InChI=1S/C29H33N3O2S/c1-4-34-25-13-15-30-24(18-25)20-32(27-11-7-8-12-28(27)35)29(33)23-14-16-31(19-21(2)3)26-10-6-5-9-22(26)17-23/h5-13,15,17-18,21,35H,4,14,16,19-20H2,1-3H3