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

Systemtic Name: N-[(2-methylpyridin-3-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[(2-methyl-3-pyridyl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-(2-mercaptophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[(2-methylpyridin-3-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-(2-mercaptophenyl)-N-[(2-methyl-3-pyridyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

Isomeric SMILES

CC1=C(C=CC=N1)CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

InChI

InChI=1S/C24H23N3OS/c1-17-20(8-6-13-25-17)16-27(22-10-4-5-11-23(22)29)24(28)19-12-14-26-21-9-3-2-7-18(21)15-19/h2-11,13,15,26,29H,12,14,16H2,1H3