N-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-methyl-phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-methyl-phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-methyl-phenyl]-2,2-dimethyl-propanamide CAS Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-3-methylphenyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-methylphenyl]-2,2-dimethylpropanamide Traditional Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-3-methyl-phenyl]-2,2-dimethyl-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)C)SCC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C)(C)C)SCC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C20H22ClNO3S/c1-12-6-5-7-15(22-19(23)20(2,3)4)18(12)26-10-13-8-16-17(9-14(13)21)25-11-24-16/h5-9H,10-11H2,1-4H3,(H,22,23)