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

Systemtic Name: propan-2-yl 4-(butan-2-ylcarbamothioylamino)-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(sec-butylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 4-[[(butan-2-ylamino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(butan-2-ylcarbamothioylamino)-1-ethylpyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(sec-butylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C14H24N4O2S MolecularWeight: 312.43096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC1=CN(N=C1C(=O)OC(C)C)CC

Isomeric SMILES

CCC(C)NC(=S)NC1=CN(N=C1C(=O)OC(C)C)CC

InChI

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