N-[(3,4-dimethoxyphenyl)methyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-phenylsulfanyl-propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(phenylthio)propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-phenylsulfanylpropanamide Traditional Name: 3-(phenylthio)-N-veratryl-propionamide Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCSC2=CC=CC=C2)OC

InChI

InChI=1S/C18H21NO3S/c1-21-16-9-8-14(12-17(16)22-2)13-19-18(20)10-11-23-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)