2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)propanamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C18H17ClFNO3S MolecularWeight: 381.848883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFNO3S/c1-10-3-4-13(7-15(10)20)21-18(22)11(2)25-8-12-5-14(19)17-16(6-12)23-9-24-17/h3-7,11H,8-9H2,1-2H3,(H,21,22)