methyl 2-[[4-(propan-2-ylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-(propan-2-ylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(isopropylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(propan-2-ylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-(isopropylthiocarbamoylamino)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC1=CN(N=C1)CC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)NC(=S)NC1=CN(N=C1)CC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H20N4O2S/c1-11(2)18-16(23)19-13-8-17-20(10-13)9-12-6-4-5-7-14(12)15(21)22-3/h4-8,10-11H,9H2,1-3H3,(H2,18,19,23)