N-[2-(azepan-1-yl)ethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-[[3-(phenylthio)-2-pyrazinyl]thio]acetamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-[[3-(phenylthio)pyrazin-2-yl]thio]acetamide Formula: C20H26N4OS2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)CSC2=NC=CN=C2SC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)CSC2=NC=CN=C2SC3=CC=CC=C3

InChI

InChI=1S/C20H26N4OS2/c25-18(21-12-15-24-13-6-1-2-7-14-24)16-26-19-20(23-11-10-22-19)27-17-8-4-3-5-9-17/h3-5,8-11H,1-2,6-7,12-16H2,(H,21,25)