ethyl 4-[(2,4-dichlorophenyl)methyl-(3-methylbutanoylcarbamothioyl)amino]benzoate

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(3-methylbutanoylcarbamothioyl)amino]benzoate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(3-methylbutanoylcarbamothioyl)amino]benzoate CAS Name: 4-[(2,4-dichlorophenyl)methyl-[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(3-methylbutanoylcarbamothioyl)amino]benzoate Traditional Name: 4-[(2,4-dichlorobenzyl)-(isovalerylthiocarbamoyl)amino]benzoic acid ethyl ester Formula: C22H24Cl2N2O3S MolecularWeight: 467.40856

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N2O3S/c1-4-29-21(28)15-6-9-18(10-7-15)26(22(30)25-20(27)11-14(2)3)13-16-5-8-17(23)12-19(16)24/h5-10,12,14H,4,11,13H2,1-3H3,(H,25,27,30)