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

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(hexanoylcarbamothioyl)amino]benzoate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(hexanoylcarbamothioyl)amino]benzoate CAS Name: 4-[(2,4-dichlorophenyl)methyl-[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(hexanoylcarbamothioyl)amino]benzoate Traditional Name: 4-[caproylthiocarbamoyl-(2,4-dichlorobenzyl)amino]benzoic acid ethyl ester Formula: C23H26Cl2N2O3S MolecularWeight: 481.43514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2N2O3S/c1-3-5-6-7-21(28)26-23(31)27(15-17-8-11-18(24)14-20(17)25)19-12-9-16(10-13-19)22(29)30-4-2/h8-14H,3-7,15H2,1-2H3,(H,26,28,31)