ethyl 4-[(2,4-dichlorophenyl)methyl-(propanoylcarbamothioyl)amino]benzoate

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(propanoylcarbamothioyl)amino]benzoate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(propanoylcarbamothioyl)amino]benzoate CAS Name: 4-[(2,4-dichlorophenyl)methyl-[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(propanoylcarbamothioyl)amino]benzoate Traditional Name: 4-[(2,4-dichlorobenzyl)-(propionylthiocarbamoyl)amino]benzoic acid ethyl ester Formula: C20H20Cl2N2O3S MolecularWeight: 439.3554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)N(CC1=C(C=C(C=C1)Cl)Cl)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC(=O)NC(=S)N(CC1=C(C=C(C=C1)Cl)Cl)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H20Cl2N2O3S/c1-3-18(25)23-20(28)24(12-14-5-8-15(21)11-17(14)22)16-9-6-13(7-10-16)19(26)27-4-2/h5-11H,3-4,12H2,1-2H3,(H,23,25,28)