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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(phenethylcarbamothioylamino)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(phenethylcarbamothioylamino)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(phenethylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(phenethylcarbamothioylamino)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(phenethylthiocarbamoylamino)benzamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H27N5O2S/c1-19-24(26(34)32(31(19)2)23-14-7-4-8-15-23)30-25(33)21-12-9-13-22(18-21)29-27(35)28-17-16-20-10-5-3-6-11-20/h3-15,18H,16-17H2,1-2H3,(H,30,33)(H2,28,29,35)