1,3-bis(oxidanylidene)-2-[3-(1-sulfosulfanylpropan-2-ylamino)propyl]isoindole

Systemtic Name: 1,3-bis(oxidanylidene)-2-[3-(1-sulfosulfanylpropan-2-ylamino)propyl]isoindole Openeye Name: 2-[3-[(1-methyl-2-sulfosulfanyl-ethyl)amino]propyl]-1,3-dioxo-isoindoline CAS Name: 1,3-dioxo-2-[3-[1-(sulfothio)propan-2-ylamino]propyl]isoindole IUPAC Name: 1,3-dioxo-2-[3-(1-sulfosulfanylpropan-2-ylamino)propyl]isoindole Traditional Name: 1,3-diketo-2-[3-[[1-methyl-2-(sulfothio)ethyl]amino]propyl]isoindoline Formula: C14H18N2O5S2 MolecularWeight: 358.43312

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSS(=O)(=O)O)NCCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(CSS(=O)(=O)O)NCCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H18N2O5S2/c1-10(9-22-23(19,20)21)15-7-4-8-16-13(17)11-5-2-3-6-12(11)14(16)18/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,19,20,21)