methyl 2-chloranyl-5-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-chloro-5-[(3,4-dichlorobenzoyl)carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[(3,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[(3,4-dichlorobenzoyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[(3,4-dichlorobenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H11Cl3N2O3S MolecularWeight: 417.69414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl3N2O3S/c1-24-15(23)10-7-9(3-5-11(10)17)20-16(25)21-14(22)8-2-4-12(18)13(19)6-8/h2-7H,1H3,(H2,20,21,22,25)