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

Systemtic Name: methyl 2-[[4-[(2,3-dimethylphenyl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(2,3-dimethylphenyl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2,3-dimethylphenyl)carbamothioylamino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[(2,3-dimethylphenyl)thiocarbamoylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-14-9-8-12-20(15(14)2)24-23(30)25-21-16(3)26-27(17(21)4)13-18-10-6-7-11-19(18)22(28)29-5/h6-12H,13H2,1-5H3,(H2,24,25,30)