N-(1,3-benzodioxol-5-yl)-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(3-fluoro-4-methoxyphenyl)methylthio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(3-fluoro-4-methoxy-benzyl)thio]propionamide Formula: C18H18FNO4S MolecularWeight: 363.403223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCCC(=O)NC2=CC3=C(C=C2)OCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSCCC(=O)NC2=CC3=C(C=C2)OCO3)F

InChI

InChI=1S/C18H18FNO4S/c1-22-15-4-2-12(8-14(15)19)10-25-7-6-18(21)20-13-3-5-16-17(9-13)24-11-23-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,21)