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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-morpholin-4-ylethylcarbamothioylamino)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-morpholinoethylcarbamothioylamino)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-morpholin-4-ylethylcarbamothioylamino)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(2-morpholinoethylthiocarbamoylamino)benzamide Formula: C25H30N6O3S MolecularWeight: 494.6091

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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)NCCN4CCOCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NCCN4CCOCC4

InChI

InChI=1S/C25H30N6O3S/c1-18-22(24(33)31(29(18)2)21-9-4-3-5-10-21)28-23(32)19-7-6-8-20(17-19)27-25(35)26-11-12-30-13-15-34-16-14-30/h3-10,17H,11-16H2,1-2H3,(H,28,32)(H2,26,27,35)