N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluoro-4-methoxyphenyl)methylthio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]acetamide Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-N-piperonyl-acetamide Formula: C18H18FNO4S MolecularWeight: 363.403223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CC3=C(C=C2)OCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CC3=C(C=C2)OCO3)F

InChI

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