methyl 3-[[(2,4-dichlorophenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(2,4-dichlorophenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(2,4-dichlorobenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2,4-dichlorobenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(2,4-dichlorobenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H13Cl2N3O4S MolecularWeight: 426.27382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2N3O4S/c1-26-16(25)10-4-2-3-9(7-10)14(23)20-17(27)22-21-15(24)12-6-5-11(18)8-13(12)19/h2-8H,1H3,(H,21,24)(H2,20,22,23,27)