methyl 4-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[(2,3-dichlorophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2,3-dichloroanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2,3-dichlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2,3-dichlorophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H14Cl2N2O2S MolecularWeight: 321.22276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=C(C(=CC=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=C(C(=CC=C1)Cl)Cl

InChI

InChI=1S/C12H14Cl2N2O2S/c1-18-10(17)6-3-7-15-12(19)16-9-5-2-4-8(13)11(9)14/h2,4-5H,3,6-7H2,1H3,(H2,15,16,19)