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

Systemtic Name: N-(2,5-dimethylphenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(2,5-dimethylphenyl)propanamide CAS Name: N-(2,5-dimethylphenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(2,5-dimethylphenyl)propanamide Traditional Name: 3-(benzylthio)-N-(2,5-dimethylphenyl)propionamide Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NOS/c1-14-8-9-15(2)17(12-14)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)