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

Systemtic Name: methyl 2-[[3,5-dimethyl-4-[(4-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[3,5-dimethyl-4-(p-tolylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[3,5-dimethyl-4-[[(4-methylanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3,5-dimethyl-4-[(4-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[3,5-dimethyl-4-(p-tolylthiocarbamoylamino)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C22H24N4O2S/c1-14-9-11-18(12-10-14)23-22(29)24-20-15(2)25-26(16(20)3)13-17-7-5-6-8-19(17)21(27)28-4/h5-12H,13H2,1-4H3,(H2,23,24,29)