ethyl 4-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]benzoate CAS Name: 4-[[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]benzoate Traditional Name: 4-[[(4-chlorophenyl)thiocarbamoylamino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H17ClN4O2S2 MolecularWeight: 408.92548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O2S2/c1-2-24-15(23)11-3-7-13(8-4-11)19-16(25)21-22-17(26)20-14-9-5-12(18)6-10-14/h3-10H,2H2,1H3,(H2,19,21,25)(H2,20,22,26)