methyl 4-[[(3,4-dichlorophenyl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3,4-dichlorophenyl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(3,4-dichloroanilino)carbamothioylamino]butanoate CAS Name: 4-[[[(3,4-dichlorophenyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3,4-dichloroanilino)carbamothioylamino]butanoate Traditional Name: 4-[(3,4-dichloroanilino)thiocarbamoylamino]butyric acid methyl ester Formula: C12H15Cl2N3O2S MolecularWeight: 336.2374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NNC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H15Cl2N3O2S/c1-19-11(18)3-2-6-15-12(20)17-16-8-4-5-9(13)10(14)7-8/h4-5,7,16H,2-3,6H2,1H3,(H2,15,17,20)