N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]benzamide Openeye Name: 3-[(2-benzylsulfanylacetyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzamide IUPAC Name: 3-[(2-benzylsulfanylacetyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-[[2-(benzylthio)acetyl]amino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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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(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-19-25(27(34)31(30(19)2)23-14-7-4-8-15-23)29-26(33)21-12-9-13-22(16-21)28-24(32)18-35-17-20-10-5-3-6-11-20/h3-16H,17-18H2,1-2H3,(H,28,32)(H,29,33)