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

Systemtic Name: propan-2-yl 4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C22H28N6O2S MolecularWeight: 440.56172

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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=C3)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N6O2S/c1-6-27-13-18(20(26-27)21(29)30-14(2)3)23-22(31)24-19-15(4)25-28(16(19)5)12-17-10-8-7-9-11-17/h7-11,13-14H,6,12H2,1-5H3,(H2,23,24,31)