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ethyl 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]benzoate

ethyl 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]benzoate

Systemtic Name:ethyl 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]benzoate
Openeye Name:ethyl 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]benzoate
CAS Name:4-[[[3-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
IUPAC Name:ethyl 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]benzoate
Traditional Name:4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylthiocarbamoylamino]benzoic acid ethyl ester
Formula: C20H23F3N4O2S
MolecularWeight: 440.48243
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C(=CC(=N2)C(F)(F)F)C3CC3


Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C(=CC(=N2)C(F)(F)F)C3CC3


InChI

InChI=1S/C20H23F3N4O2S/c1-2-29-18(28)14-6-8-15(9-7-14)25-19(30)24-10-3-11-27-16(13-4-5-13)12-17(26-27)20(21,22)23/h6-9,12-13H,2-5,10-11H2,1H3,(H2,24,25,30)


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