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

Systemtic Name: S-[3-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-amino-2-(1,3-dioxoisoindolin-2-yl)-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-amino-2-(1,3-dioxo-2-isoindolyl)-3-oxopropyl] ester IUPAC Name: S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-(3-amino-3-keto-2-phthalimido-propyl) ester Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(C(=O)N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(C(=O)N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H14N2O4S/c19-15(21)14(10-25-18(24)11-6-2-1-3-7-11)20-16(22)12-8-4-5-9-13(12)17(20)23/h1-9,14H,10H2,(H2,19,21)