propan-2-yl 4-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C23H30N6O2S MolecularWeight: 454.5883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C

InChI

InChI=1S/C23H30N6O2S/c1-7-28-13-19(21(27-28)22(30)31-14(2)3)24-23(32)25-20-16(5)26-29(17(20)6)12-18-11-9-8-10-15(18)4/h8-11,13-14H,7,12H2,1-6H3,(H2,24,25,32)