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

Systemtic Name: ethyl 1-(phenylmethyl)-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-[propyl-[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-[propyl(propylthiocarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-4-12-21-20(27)24(13-5-2)18-17(19(25)26-6-3)15-23(22-18)14-16-10-8-7-9-11-16/h7-11,15H,4-6,12-14H2,1-3H3,(H,21,27)