N-(2,5-dimethoxyphenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(2,5-dimethoxyphenyl)propanamide CAS Name: N-(2,5-dimethoxyphenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(2,5-dimethoxyphenyl)propanamide Traditional Name: 3-(benzylthio)-N-(2,5-dimethoxyphenyl)propionamide Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CCSCC2=CC=CC=C2

InChI

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