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

Systemtic Name: 2-(2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-6-yl)isoindole-1,3-dione Openeye Name: 2-[2-(2-naphthyl)-5-oxo-1,4-thiazepan-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-6-yl]isoindole-1,3-dione IUPAC Name: 2-(2-naphthalen-2-yl-5-oxo-1,4-thiazepan-6-yl)isoindole-1,3-dione Traditional Name: 2-[5-keto-2-(2-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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C(SCC(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O)C4=CC5=CC=CC=C5C=C4

InChI

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