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

Systemtic Name: 1-propyl-N-[2-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 1-propyl-N-[2-(3-pyridylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 1-propyl-N-[2-(3-pyridinylmethylthio)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 1-propyl-N-[2-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 1-propyl-N-[2-(3-pyridylmethylthio)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3SCC4=CN=CC=C4

Isomeric SMILES

CCCN1CCC(=CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3SCC4=CN=CC=C4

InChI

InChI=1S/C26H27N3OS/c1-2-15-29-16-13-22(17-21-9-3-5-11-24(21)29)26(30)28-23-10-4-6-12-25(23)31-19-20-8-7-14-27-18-20/h3-12,14,17-18H,2,13,15-16,19H2,1H3,(H,28,30)