N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,5-tris(methylsulfanyl)pentanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,5-tris(methylsulfanyl)pentanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,5-tris(methylsulfanyl)pentanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,5-tris(methylthio)pentanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,5-tris(methylsulfanyl)pentanamide Traditional Name: N-homoveratryl-5,5,5-tris(methylthio)valeramide Formula: C18H29NO3S3 MolecularWeight: 403.62276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCC(SC)(SC)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCC(SC)(SC)SC)OC

InChI

InChI=1S/C18H29NO3S3/c1-21-15-9-8-14(13-16(15)22-2)10-12-19-17(20)7-6-11-18(23-3,24-4)25-5/h8-9,13H,6-7,10-12H2,1-5H3,(H,19,20)