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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N2O3S/c1-3-5-6-20(27)25-22(30)26(14-16-7-10-17(23)13-19(16)24)18-11-8-15(9-12-18)21(28)29-4-2/h7-13H,3-6,14H2,1-2H3,(H,25,27,30)