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

Systemtic Name: methyl 4-[(2,4-dichlorophenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(2,4-dichlorophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[(2,4-dichloroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,4-dichlorophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(2,4-dichlorophenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H12Cl2N2O3S MolecularWeight: 383.24908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N2O3S/c1-23-15(22)10-4-2-9(3-5-10)14(21)20-16(24)19-13-7-6-11(17)8-12(13)18/h2-8H,1H3,(H2,19,20,21,24)