S-[1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]pyridin-1-ium-3-yl] benzenecarbothioate

Systemtic Name: S-[1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]pyridin-1-ium-3-yl] benzenecarbothioate Openeye Name: S-[1-[3-(1,3-dioxoisoindolin-2-yl)propyl]pyridin-1-ium-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-[3-(1,3-dioxo-2-isoindolyl)propyl]-3-pyridin-1-iumyl] ester IUPAC Name: S-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]pyridin-1-ium-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-(3-phthalimidopropyl)pyridin-1-ium-3-yl] ester Formula: C23H19N2O3S+ MolecularWeight: 403.47356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=C[N+](=CC=C2)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=C[N+](=CC=C2)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H19N2O3S/c26-21-19-11-4-5-12-20(19)22(27)25(21)15-7-14-24-13-6-10-18(16-24)29-23(28)17-8-2-1-3-9-17/h1-6,8-13,16H,7,14-15H2/q+1