N-(2-methoxy-5-methyl-phenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: N-(2-methoxy-5-methylphenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: 3-(benzylthio)-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO2S/c1-14-8-9-17(21-2)16(12-14)19-18(20)10-11-22-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)