N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(phenylcarbamothioylamino)benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(phenylcarbamothioylamino)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(phenylcarbamothioylamino)benzamide CAS Name: 3-[[anilino(sulfanylidene)methyl]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-(phenylcarbamothioylamino)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(phenylthiocarbamoylamino)benzamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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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=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O2S/c1-17-22(24(32)30(29(17)2)21-14-7-4-8-15-21)28-23(31)18-10-9-13-20(16-18)27-25(33)26-19-11-5-3-6-12-19/h3-16H,1-2H3,(H,28,31)(H2,26,27,33)