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

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(2-methylpropanoylcarbamothioyl)amino]benzoate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(2-methylpropanoylcarbamothioyl)amino]benzoate CAS Name: 4-[(2,4-dichlorophenyl)methyl-[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(2-methylpropanoylcarbamothioyl)amino]benzoate Traditional Name: 4-[(2,4-dichlorobenzyl)-(isobutyrylthiocarbamoyl)amino]benzoic acid ethyl ester Formula: C21H22Cl2N2O3S MolecularWeight: 453.38198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC(=O)C(C)C

InChI

InChI=1S/C21H22Cl2N2O3S/c1-4-28-20(27)14-6-9-17(10-7-14)25(21(29)24-19(26)13(2)3)12-15-5-8-16(22)11-18(15)23/h5-11,13H,4,12H2,1-3H3,(H,24,26,29)