2-[[3-oxidanylidene-2-[(4-pyrrol-1-ylphenyl)methyl]-1H-isoindol-1-yl]sulfanyl]-N-pyridin-2-yl-ethanamide

Systemtic Name: 2-[[3-oxidanylidene-2-[(4-pyrrol-1-ylphenyl)methyl]-1H-isoindol-1-yl]sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[3-oxo-2-[(4-pyrrol-1-ylphenyl)methyl]isoindolin-1-yl]sulfanyl-N-(2-pyridyl)acetamide CAS Name: 2-[[3-oxo-2-[[4-(1-pyrrolyl)phenyl]methyl]-1H-isoindol-1-yl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[[3-oxo-2-[(4-pyrrol-1-ylphenyl)methyl]-1H-isoindol-1-yl]sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[[3-keto-2-(4-pyrrol-1-ylbenzyl)isoindolin-1-yl]thio]-N-(2-pyridyl)acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CC3=CC=C(C=C3)N4C=CC=C4)SCC(=O)NC5=CC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)CC3=CC=C(C=C3)N4C=CC=C4)SCC(=O)NC5=CC=CC=N5

InChI

InChI=1S/C26H22N4O2S/c31-24(28-23-9-3-4-14-27-23)18-33-26-22-8-2-1-7-21(22)25(32)30(26)17-19-10-12-20(13-11-19)29-15-5-6-16-29/h1-16,26H,17-18H2,(H,27,28,31)