O-ethyl [4-cyano-1-[(4-fluorophenyl)carbonyl-methyl-amino]butan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [4-cyano-1-[(4-fluorophenyl)carbonyl-methyl-amino]butan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [3-cyano-1-[[(4-fluorobenzoyl)-methyl-amino]methyl]propyl]sulfanylmethanethioate CAS Name: [[4-cyano-1-[[(4-fluorophenyl)-oxomethyl]-methylamino]butan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [4-cyano-1-[(4-fluorobenzoyl)-methylamino]butan-2-yl]sulfanylmethanethioate Traditional Name: [[3-cyano-1-[[(4-fluorobenzoyl)-methyl-amino]methyl]propyl]thio]methanethioic acid O-ethyl ester Formula: C16H19FN2O2S2 MolecularWeight: 354.462663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC#N)CN(C)C(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CCOC(=S)SC(CCC#N)CN(C)C(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C16H19FN2O2S2/c1-3-21-16(22)23-14(5-4-10-18)11-19(2)15(20)12-6-8-13(17)9-7-12/h6-9,14H,3-5,11H2,1-2H3