methyl 4-[(2,4-dichlorophenyl)carbonylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2,4-dichlorophenyl)carbonylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(2,4-dichlorobenzoyl)carbamothioylamino]butanoate CAS Name: 4-[[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2,4-dichlorobenzoyl)carbamothioylamino]butanoate Traditional Name: 4-[(2,4-dichlorobenzoyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H14Cl2N2O3S MolecularWeight: 349.23286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC(=O)C1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NC(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O3S/c1-20-11(18)3-2-6-16-13(21)17-12(19)9-5-4-8(14)7-10(9)15/h4-5,7H,2-3,6H2,1H3,(H2,16,17,19,21)