4-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2,6-dimethylphenyl)butanamide

Systemtic Name: 4-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2,6-dimethylphenyl)butanamide Openeye Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2,6-dimethylphenyl)butanamide CAS Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(2,6-dimethylphenyl)butanamide IUPAC Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2,6-dimethylphenyl)butanamide Traditional Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(2,6-dimethylphenyl)butyramide Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C20H22ClNO3S/c1-13-5-3-6-14(2)19(13)22-18(23)7-4-8-26-11-15-9-16(21)20-17(10-15)24-12-25-20/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,22,23)