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

Systemtic Name: 4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,6-dimethylphenyl)butanamide Openeye Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,6-dimethylphenyl)butanamide CAS Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(2,6-dimethylphenyl)butanamide IUPAC Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,6-dimethylphenyl)butanamide Traditional Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(2,6-dimethylphenyl)butyramide Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C21H24ClNO3S/c1-14-5-3-6-15(2)20(14)23-19(24)7-4-10-27-13-16-11-17(22)21-18(12-16)25-8-9-26-21/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H,23,24)