ethyl 1-butyl-3-[phenyl(phenylcarbamothioyl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-butyl-3-[phenyl(phenylcarbamothioyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-butyl-3-[N-(phenylcarbamothioyl)anilino]pyrazole-4-carboxylate CAS Name: 3-(N-[anilino(sulfanylidene)methyl]anilino)-1-butyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-3-[N-(phenylcarbamothioyl)anilino]pyrazole-4-carboxylate Traditional Name: 1-butyl-3-[N-(phenylthiocarbamoyl)anilino]pyrazole-4-carboxylic acid ethyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=N1)N(C2=CC=CC=C2)C(=S)NC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCN1C=C(C(=N1)N(C2=CC=CC=C2)C(=S)NC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H26N4O2S/c1-3-5-16-26-17-20(22(28)29-4-2)21(25-26)27(19-14-10-7-11-15-19)23(30)24-18-12-8-6-9-13-18/h6-15,17H,3-5,16H2,1-2H3,(H,24,30)