N-(3,4-dimethoxyphenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(3,4-dimethoxyphenyl)propanamide CAS Name: N-(3,4-dimethoxyphenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 3-(benzylthio)-N-(3,4-dimethoxyphenyl)propionamide Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-21-16-9-8-15(12-17(16)22-2)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)