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

Systemtic Name: methyl 2-[[4-[(2-ethoxyphenyl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(2-ethoxyphenyl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-ethoxyphenyl)carbamothioylamino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[3,5-dimethyl-4-(o-phenetylthiocarbamoylamino)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C23H26N4O3S/c1-5-30-20-13-9-8-12-19(20)24-23(31)25-21-15(2)26-27(16(21)3)14-17-10-6-7-11-18(17)22(28)29-4/h6-13H,5,14H2,1-4H3,(H2,24,25,31)