ethyl 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-[(2,4-dichlorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]benzoate Traditional Name: 4-[[1-(2,4-dichlorobenzyl)pyrazol-4-yl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H18Cl2N4O2S MolecularWeight: 449.35352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2N4O2S/c1-2-28-19(27)13-4-7-16(8-5-13)24-20(29)25-17-10-23-26(12-17)11-14-3-6-15(21)9-18(14)22/h3-10,12H,2,11H2,1H3,(H2,24,25,29)