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

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 3-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 3-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 3-[(3-chloro-2-methylphenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C26H24ClN5O2S MolecularWeight: 506.01906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H24ClN5O2S/c1-16-21(27)13-8-14-22(16)29-26(35)28-19-10-7-9-18(15-19)24(33)30-23-17(2)31(3)32(25(23)34)20-11-5-4-6-12-20/h4-15H,1-3H3,(H,30,33)(H2,28,29,35)