N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-phenylsulfanyl-propanamide CAS Name: N-[[6-(1-azepanyl)-3-pyridinyl]methyl]-3-(phenylthio)propanamide IUPAC Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-phenylsulfanylpropanamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-(phenylthio)propionamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c25-21(12-15-26-19-8-4-3-5-9-19)23-17-18-10-11-20(22-16-18)24-13-6-1-2-7-14-24/h3-5,8-11,16H,1-2,6-7,12-15,17H2,(H,23,25)