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

Systemtic Name: methyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[[(1,5-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)carbamothioylamino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[(1,5-dimethylpyrazol-4-yl)thiocarbamoylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=C(C=NN1C)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C20H24N6O2S/c1-12-18(23-20(29)22-17-10-21-25(4)13(17)2)14(3)26(24-12)11-15-8-6-7-9-16(15)19(27)28-5/h6-10H,11H2,1-5H3,(H2,22,23,29)