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

Systemtic Name: methyl 4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-bromo-3-chloro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-3-chlorophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-bromo-3-chloro-phenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C12H12BrClN2O3S MolecularWeight: 379.65728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)Br)Cl

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)Br)Cl

InChI

InChI=1S/C12H12BrClN2O3S/c1-19-11(18)5-4-10(17)16-12(20)15-7-2-3-8(13)9(14)6-7/h2-3,6H,4-5H2,1H3,(H2,15,16,17,20)