propan-2-yl 1-ethyl-4-(2-methylpropylcarbamothioylamino)pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-(2-methylpropylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(isobutylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(2-methylpropylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(isobutylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C14H24N4O2S MolecularWeight: 312.43096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCC(C)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCC(C)C

InChI

InChI=1S/C14H24N4O2S/c1-6-18-8-11(16-14(21)15-7-9(2)3)12(17-18)13(19)20-10(4)5/h8-10H,6-7H2,1-5H3,(H2,15,16,21)