N-[2-(azepan-1-yl)ethyl]-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-(phenylmethylsulfanyl)benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-benzylsulfanyl-benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(phenylmethylthio)benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-benzylsulfanylbenzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-(benzylthio)benzamide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c25-22(23-14-17-24-15-8-1-2-9-16-24)20-12-6-7-13-21(20)26-18-19-10-4-3-5-11-19/h3-7,10-13H,1-2,8-9,14-18H2,(H,23,25)