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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-phenyl]-3-chloranyl-2,2-dimethyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-phenyl]-3-chloro-2,2-dimethyl-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylthio)-3-methylphenyl]-3-chloro-2,2-dimethylpropanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methylphenyl]-3-chloro-2,2-dimethylpropanamide Traditional Name: 3-chloro-2,2-dimethyl-N-[3-methyl-2-(piperonylthio)phenyl]propionamide Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3S/c1-13-5-4-6-15(22-19(23)20(2,3)11-21)18(13)26-10-14-7-8-16-17(9-14)25-12-24-16/h4-9H,10-12H2,1-3H3,(H,22,23)