ethyl 3-(cyclohexylcarbamothioylamino)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(cyclohexylcarbamothioylamino)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-(cyclohexylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-(cyclohexylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(cyclohexylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1NC(=S)NC2CCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN(N=C1NC(=S)NC2CCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2S/c1-2-26-19(25)17-14-24(13-15-9-5-3-6-10-15)23-18(17)22-20(27)21-16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,2,4,7-8,11-13H2,1H3,(H2,21,22,23,27)