1-ethyl-N-phenyl-4-(3-phenylpropanoylcarbamothioylamino)pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-N-phenyl-4-(3-phenylpropanoylcarbamothioylamino)pyrazole-3-carboxamide Openeye Name: 1-ethyl-N-phenyl-4-(3-phenylpropanoylcarbamothioylamino)pyrazole-3-carboxamide CAS Name: 1-ethyl-4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-phenyl-4-(3-phenylpropanoylcarbamothioylamino)pyrazole-3-carboxamide Traditional Name: 1-ethyl-4-(hydrocinnamoylthiocarbamoylamino)-N-phenyl-pyrazole-3-carboxamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H23N5O2S/c1-2-27-15-18(20(26-27)21(29)23-17-11-7-4-8-12-17)24-22(30)25-19(28)14-13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3,(H,23,29)(H2,24,25,28,30)