ethyl 4-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(2-bromo-4-fluoro-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-bromo-4-fluoroanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-bromo-4-fluorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-bromo-4-fluoro-phenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C13H16BrFN2O2S MolecularWeight: 363.245743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=C(C=C(C=C1)F)Br

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=C(C=C(C=C1)F)Br

InChI

InChI=1S/C13H16BrFN2O2S/c1-2-19-12(18)4-3-7-16-13(20)17-11-6-5-9(15)8-10(11)14/h5-6,8H,2-4,7H2,1H3,(H2,16,17,20)