ethyl 1-(phenylmethyl)-5-[(phenylmethyl)-(propylcarbamothioyl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-5-[(phenylmethyl)-(propylcarbamothioyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-[benzyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-5-[(phenylmethyl)-[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[benzyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate Traditional Name: 1-benzyl-5-[benzyl(propylthiocarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C24H28N4O2S MolecularWeight: 436.56972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N(CC1=CC=CC=C1)C2=C(C=NN2CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCNC(=S)N(CC1=CC=CC=C1)C2=C(C=NN2CC3=CC=CC=C3)C(=O)OCC

InChI

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