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

Systemtic Name: methyl 2-[[4-[(2,4-dimethoxyphenyl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(2,4-dimethoxyphenyl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2,4-dimethoxyphenyl)carbamothioylamino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[(2,4-dimethoxyphenyl)thiocarbamoylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=S)NC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=S)NC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C23H26N4O4S/c1-14-21(25-23(32)24-19-11-10-17(29-3)12-20(19)30-4)15(2)27(26-14)13-16-8-6-7-9-18(16)22(28)31-5/h6-12H,13H2,1-5H3,(H2,24,25,32)