ethyl 3-[methyl(propylcarbamothioyl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[methyl(propylcarbamothioyl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-[methyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate CAS Name: 3-[methyl-[propylamino(sulfanylidene)methyl]amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[methyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-[methyl(propylthiocarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N(C)C1=NN(C=C1C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=S)N(C)C1=NN(C=C1C(=O)OCC)CC2=CC=CC=C2

InChI

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