ethyl 4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(4-bromo-3-chloro-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-3-chlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-bromo-3-chloro-phenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C13H16BrClN2O2S MolecularWeight: 379.70034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CC(=C(C=C1)Br)Cl

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CC(=C(C=C1)Br)Cl

InChI

InChI=1S/C13H16BrClN2O2S/c1-2-19-12(18)4-3-7-16-13(20)17-9-5-6-10(14)11(15)8-9/h5-6,8H,2-4,7H2,1H3,(H2,16,17,20)