methyl 3-[[3,5-bis(chloranyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3,5-bis(chloranyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(3,5-dichlorophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(3,5-dichloroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3,5-dichlorophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(3,5-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=CC(=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

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

InChI

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