methyl 4-[(5-chloranyl-2-fluoranyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(5-chloranyl-2-fluoranyl-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(5-chloro-2-fluoro-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(5-chloro-2-fluoroanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-2-fluorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(5-chloro-2-fluoro-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H14ClFN2O2S MolecularWeight: 304.768163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClFN2O2S/c1-18-11(17)3-2-6-15-12(19)16-10-7-8(13)4-5-9(10)14/h4-5,7H,2-3,6H2,1H3,(H2,15,16,19)