methyl 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C21H26N6O2S/c1-15-11-16(2)27(25-15)10-6-9-22-21(30)24-18-12-23-26(14-18)13-17-7-4-5-8-19(17)20(28)29-3/h4-5,7-8,11-12,14H,6,9-10,13H2,1-3H3,(H2,22,24,30)