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

Systemtic Name: methyl 2-[[3,5-dimethyl-4-(propan-2-ylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(isopropylcarbamothioylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[3,5-dimethyl-4-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3,5-dimethyl-4-(propan-2-ylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-(isopropylthiocarbamoylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-11(2)19-18(25)20-16-12(3)21-22(13(16)4)10-14-8-6-7-9-15(14)17(23)24-5/h6-9,11H,10H2,1-5H3,(H2,19,20,25)