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

Systemtic Name: methyl 3-[[2,5-bis(chloranyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2,5-dichlorophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(2,5-dichloroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,5-dichlorophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2,5-dichlorophenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H12Cl2N2O3S MolecularWeight: 383.24908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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