N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(4-ethylphenyl)carbamothioylamino]benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(4-ethylphenyl)carbamothioylamino]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(4-ethylphenyl)carbamothioylamino]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(4-ethylanilino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-ethylphenyl)carbamothioylamino]benzamide Traditional Name: 3-[(4-ethylphenyl)thiocarbamoylamino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H27N5O2S/c1-4-19-13-15-21(16-14-19)28-27(35)29-22-10-8-9-20(17-22)25(33)30-24-18(2)31(3)32(26(24)34)23-11-6-5-7-12-23/h5-17H,4H2,1-3H3,(H,30,33)(H2,28,29,35)