ethyl 3-[cyclohexyl(cyclohexylcarbamothioyl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[cyclohexyl(cyclohexylcarbamothioyl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-[cyclohexyl(cyclohexylcarbamothioyl)amino]pyrazole-4-carboxylate CAS Name: 3-[cyclohexyl-[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[cyclohexyl(cyclohexylcarbamothioyl)amino]pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-[cyclohexyl(cyclohexylthiocarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1N(C2CCCCC2)C(=S)NC3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(N=C1N(C2CCCCC2)C(=S)NC3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O2S/c1-2-32-25(31)23-19-29(18-20-12-6-3-7-13-20)28-24(23)30(22-16-10-5-11-17-22)26(33)27-21-14-8-4-9-15-21/h3,6-7,12-13,19,21-22H,2,4-5,8-11,14-18H2,1H3,(H,27,33)