N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-phenyl]-2,2-dimethyl-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylthio)-3-methylphenyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methylphenyl]-2,2-dimethylpropanamide Traditional Name: 2,2-dimethyl-N-[3-methyl-2-(piperonylthio)phenyl]propionamide Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C)(C)C)SCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C)(C)C)SCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H23NO3S/c1-13-6-5-7-15(21-19(22)20(2,3)4)18(13)25-11-14-8-9-16-17(10-14)24-12-23-16/h5-10H,11-12H2,1-4H3,(H,21,22)