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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

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