ethyl 1-methyl-5-[(4-pentylphenyl)carbonylcarbamothioylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[(4-pentylphenyl)carbonylcarbamothioylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[(4-pentylbenzoyl)carbamothioylamino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[[[oxo-(4-pentylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[(4-pentylbenzoyl)carbamothioylamino]pyrazole-4-carboxylate Traditional Name: 5-[(4-amylbenzoyl)thiocarbamoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=NN2C)C(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=NN2C)C(=O)OCC

InChI

InChI=1S/C20H26N4O3S/c1-4-6-7-8-14-9-11-15(12-10-14)18(25)23-20(28)22-17-16(13-21-24(17)3)19(26)27-5-2/h9-13H,4-8H2,1-3H3,(H2,22,23,25,28)