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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-benzylsulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(phenylmethylthio)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-benzylsulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(benzylthio)acetamide Formula: C21H28N2OS2 MolecularWeight: 388.58982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)CSCC2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)CSCC2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C21H28N2OS2/c24-21(17-26-15-18-8-4-3-5-9-18)22-14-20(19-10-13-25-16-19)23-11-6-1-2-7-12-23/h3-5,8-10,13,16,20H,1-2,6-7,11-12,14-15,17H2,(H,22,24)