methyl 4-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]benzoate CAS Name: 4-[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thiocarbamoylamino]carbamoyl]benzoic acid methyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O3S/c1-23-15(22)11-4-2-10(3-5-11)14(21)19-20-16(24)18-13-8-6-12(17)7-9-13/h2-9H,1H3,(H,19,21)(H2,18,20,24)