2-(2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-6-yl)isoindole-1,3-dione

Systemtic Name: 2-(2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-6-yl)isoindole-1,3-dione Openeye Name: 2-[2-(1-naphthyl)-5-oxo-1,4-thiazepan-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-(1-naphthalenyl)-5-oxo-1,4-thiazepan-6-yl]isoindole-1,3-dione IUPAC Name: 2-(2-naphthalen-1-yl-5-oxo-1,4-thiazepan-6-yl)isoindole-1,3-dione Traditional Name: 2-[5-keto-2-(1-naphthyl)-1,4-thiazepan-6-yl]isoindoline-1,3-quinone Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C(SCC(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H18N2O3S/c26-21-19(25-22(27)17-9-3-4-10-18(17)23(25)28)13-29-20(12-24-21)16-11-5-7-14-6-1-2-8-15(14)16/h1-11,19-20H,12-13H2,(H,24,26)