methyl 3-[[2,4,5-tris(chloranyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2,4,5-tris(chloranyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2,4,5-trichlorophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[sulfanylidene-(2,4,5-trichloroanilino)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,4,5-trichlorophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2,4,5-trichlorophenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H11Cl3N2O3S MolecularWeight: 417.69414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl

InChI

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