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

Systemtic Name: ethyl 1-(phenylmethyl)-3-[(phenylmethyl)-(propylcarbamothioyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-[benzyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-[(phenylmethyl)-[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[benzyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-[benzyl(propylthiocarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N(CC1=CC=CC=C1)C2=NN(C=C2C(=O)OCC)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=S)N(CC1=CC=CC=C1)C2=NN(C=C2C(=O)OCC)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O2S/c1-3-15-25-24(31)28(17-20-13-9-6-10-14-20)22-21(23(29)30-4-2)18-27(26-22)16-19-11-7-5-8-12-19/h5-14,18H,3-4,15-17H2,1-2H3,(H,25,31)