methyl 4-[[(3-chlorophenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3-chlorophenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(3-chlorobenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(3-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3-chlorobenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(3-chlorobenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O3S/c1-20-11(18)6-3-7-15-13(21)17-16-12(19)9-4-2-5-10(14)8-9/h2,4-5,8H,3,6-7H2,1H3,(H,16,19)(H2,15,17,21)