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

Systemtic Name: ethyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-bromophenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C13H15BrN2O3S MolecularWeight: 359.2388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O3S/c1-2-19-12(18)7-6-11(17)16-13(20)15-10-5-3-4-9(14)8-10/h3-5,8H,2,6-7H2,1H3,(H2,15,16,17,20)