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

Systemtic Name: methyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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