methyl 4-[[(2,4-dichlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(2,4-dichlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(2,4-dichlorobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2,4-dichlorobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2,4-dichlorobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C13H13Cl2N3O4S MolecularWeight: 378.23102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H13Cl2N3O4S/c1-22-11(20)5-4-10(19)16-13(23)18-17-12(21)8-3-2-7(14)6-9(8)15/h2-3,6H,4-5H2,1H3,(H,17,21)(H2,16,18,19,23)