4-methylsulfanyl-2-[2-(3-phenoxyphenyl)ethanoylamino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide

Systemtic Name: 4-methylsulfanyl-2-[2-(3-phenoxyphenyl)ethanoylamino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide Openeye Name: 4-methylsulfanyl-2-[[2-(3-phenoxyphenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide CAS Name: 4-(methylthio)-2-[[1-oxo-2-(3-phenoxyphenyl)ethyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide IUPAC Name: 4-methylsulfanyl-2-[[2-(3-phenoxyphenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide Traditional Name: 4-(methylthio)-2-[[2-(3-phenoxyphenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butyramide Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=NNC(=C1)C2=CC=CC=C2)NC(=O)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)NC1=NNC(=C1)C2=CC=CC=C2)NC(=O)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3S/c1-36-16-15-24(28(34)30-26-19-25(31-32-26)21-10-4-2-5-11-21)29-27(33)18-20-9-8-14-23(17-20)35-22-12-6-3-7-13-22/h2-14,17,19,24H,15-16,18H2,1H3,(H,29,33)(H2,30,31,32,34)