methyl 4-[(3-fluorophenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3-fluorophenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-fluorophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-fluoroanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-fluorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-fluorophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H15FN2O2S MolecularWeight: 270.323103

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC(=CC=C1)F

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC(=CC=C1)F

InChI

InChI=1S/C12H15FN2O2S/c1-17-11(16)6-3-7-14-12(18)15-10-5-2-4-9(13)8-10/h2,4-5,8H,3,6-7H2,1H3,(H2,14,15,18)