methyl 4-[[(2-chlorophenyl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(2-chlorophenyl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-chloroanilino)carbamothioylamino]butanoate CAS Name: 4-[[[(2-chlorophenyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-chloroanilino)carbamothioylamino]butanoate Traditional Name: 4-[(2-chloroanilino)thiocarbamoylamino]butyric acid methyl ester Formula: C12H16ClN3O2S MolecularWeight: 301.79234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC1=CC=CC=C1Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NNC1=CC=CC=C1Cl

InChI

InChI=1S/C12H16ClN3O2S/c1-18-11(17)7-4-8-14-12(19)16-15-10-6-3-2-5-9(10)13/h2-3,5-6,15H,4,7-8H2,1H3,(H2,14,16,19)