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

Systemtic Name: N-(3,4-dimethylphenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide CAS Name: N-(3,4-dimethylphenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide Traditional Name: 3-(benzylthio)-N-(3,4-dimethylphenyl)propionamide Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NOS/c1-14-8-9-17(12-15(14)2)19-18(20)10-11-21-13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)