methyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-bromophenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C12H13BrN2O3S MolecularWeight: 345.21222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O3S/c1-18-11(17)6-5-10(16)15-12(19)14-9-4-2-3-8(13)7-9/h2-4,7H,5-6H2,1H3,(H2,14,15,16,19)