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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(2-propan-2-ylphenyl)carbamothioylamino]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(2-isopropylphenyl)carbamothioylamino]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(2-propan-2-ylphenyl)carbamothioylamino]benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(o-cumenylthiocarbamoylamino)benzamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC4=CC=CC=C4C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC4=CC=CC=C4C(C)C

InChI

InChI=1S/C28H29N5O2S/c1-18(2)23-15-8-9-16-24(23)30-28(36)29-21-12-10-11-20(17-21)26(34)31-25-19(3)32(4)33(27(25)35)22-13-6-5-7-14-22/h5-18H,1-4H3,(H,31,34)(H2,29,30,36)