methyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamoylamino]benzoate

Systemtic Name: methyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamoylamino]benzoate Openeye Name: methyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamoylamino]benzoate CAS Name: 2-[[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamoylamino]benzoate Traditional Name: 2-[[(4-chlorophenyl)thiocarbamoylamino]carbamoylamino]benzoic acid methyl ester Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)NNC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)NNC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClN4O3S/c1-24-14(22)12-4-2-3-5-13(12)19-15(23)20-21-16(25)18-11-8-6-10(17)7-9-11/h2-9H,1H3,(H2,18,21,25)(H2,19,20,23)