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

Systemtic Name: methyl 2-[[4-(2-methoxyethylcarbamothioylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(2-methoxyethylcarbamothioylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(2-methoxyethylamino)-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-methoxyethylcarbamothioylamino)-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-(2-methoxyethylthiocarbamoylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S/c1-12-16(20-18(26)19-9-10-24-3)13(2)22(21-12)11-14-7-5-6-8-15(14)17(23)25-4/h5-8H,9-11H2,1-4H3,(H2,19,20,26)