2-[2-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl)ethyl]isoindoline-1,3-quinone Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C14H11N3O4S/c18-10-9(11(19)16-14(22)15-10)5-6-17-12(20)7-3-1-2-4-8(7)13(17)21/h1-4,9H,5-6H2,(H2,15,16,18,19,22)