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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(4-methylphenyl)carbamothioylamino]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(p-tolylcarbamothioylamino)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(4-methylanilino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)carbamothioylamino]benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(p-tolylthiocarbamoylamino)benzamide Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C26H25N5O2S/c1-17-12-14-20(15-13-17)27-26(34)28-21-9-7-8-19(16-21)24(32)29-23-18(2)30(3)31(25(23)33)22-10-5-4-6-11-22/h4-16H,1-3H3,(H,29,32)(H2,27,28,34)