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

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(phenylcarbonylcarbamothioyl)amino]benzoate Openeye Name: ethyl 4-[benzoylcarbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate CAS Name: 4-[[benzamido(sulfanylidene)methyl]-[(2,4-dichlorophenyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[benzoylcarbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate Traditional Name: 4-[benzoylthiocarbamoyl-(2,4-dichlorobenzyl)amino]benzoic acid ethyl ester Formula: C24H20Cl2N2O3S MolecularWeight: 487.3982

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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)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H20Cl2N2O3S/c1-2-31-23(30)17-9-12-20(13-10-17)28(15-18-8-11-19(25)14-21(18)26)24(32)27-22(29)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,27,29,32)