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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-methylprop-2-enylcarbamothioylamino)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-methylallylcarbamothioylamino)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-methylprop-2-enylcarbamothioylamino)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(2-methylallylthiocarbamoylamino)benzamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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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)NCC(=C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2S/c1-15(2)14-24-23(31)25-18-10-8-9-17(13-18)21(29)26-20-16(3)27(4)28(22(20)30)19-11-6-5-7-12-19/h5-13H,1,14H2,2-4H3,(H,26,29)(H2,24,25,31)