N-[2-(azepan-1-yl)ethyl]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-3-benzylsulfanyl-propanamide CAS Name: N-[2-(1-azepanyl)ethyl]-3-(phenylmethylthio)propanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-3-benzylsulfanylpropanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-3-(benzylthio)propionamide Formula: C18H28N2OS MolecularWeight: 320.49272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C18H28N2OS/c21-18(10-15-22-16-17-8-4-3-5-9-17)19-11-14-20-12-6-1-2-7-13-20/h3-5,8-9H,1-2,6-7,10-16H2,(H,19,21)