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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(3,4-dimethylphenyl)carbamothioylamino]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(3,4-dimethylphenyl)carbamothioylamino]benzamide CAS Name: 3-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3,4-dimethylphenyl)carbamothioylamino]benzamide Traditional Name: 3-[(3,4-dimethylphenyl)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:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

InChI

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