methyl 4-[[3,5-bis(chloranyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[3,5-bis(chloranyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[(3,5-dichlorophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3,5-dichloroanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dichlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3,5-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=CC(=CC(=C1)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H14Cl2N2O2S/c1-18-11(17)3-2-4-15-12(19)16-10-6-8(13)5-9(14)7-10/h5-7H,2-4H2,1H3,(H2,15,16,19)