1-(2-methylpropyl)-N-[2-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: 1-(2-methylpropyl)-N-[2-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 1-isobutyl-N-[2-(3-pyridylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 1-(2-methylpropyl)-N-[2-(3-pyridinylmethylthio)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 1-(2-methylpropyl)-N-[2-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 1-isobutyl-N-[2-(3-pyridylmethylthio)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3SCC4=CN=CC=C4

Isomeric SMILES

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3SCC4=CN=CC=C4

InChI

InChI=1S/C27H29N3OS/c1-20(2)18-30-15-13-23(16-22-9-3-5-11-25(22)30)27(31)29-24-10-4-6-12-26(24)32-19-21-8-7-14-28-17-21/h3-12,14,16-17,20H,13,15,18-19H2,1-2H3,(H,29,31)