2-[4-[(2-methyl-1-sulfanyl-propan-2-yl)amino]butyl]isoindole-1,3-dione; phosphoric acid

Systemtic Name: 2-[4-[(2-methyl-1-sulfanyl-propan-2-yl)amino]butyl]isoindole-1,3-dione; phosphoric acid Openeye Name: 2-[4-[(1,1-dimethyl-2-sulfanyl-ethyl)amino]butyl]isoindoline-1,3-dione; phosphoric acid CAS Name: 2-[4-[(1-mercapto-2-methylpropan-2-yl)amino]butyl]isoindole-1,3-dione; phosphoric acid IUPAC Name: 2-[4-[(2-methyl-1-sulfanylpropan-2-yl)amino]butyl]isoindole-1,3-dione; phosphoric acid Traditional Name: 2-[4-[(2-mercapto-1,1-dimethyl-ethyl)amino]butyl]isoindoline-1,3-quinone; phosphoric acid Formula: C16H25N2O6PS MolecularWeight: 404.418261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS)NCCCCN1C(=O)C2=CC=CC=C2C1=O.OP(=O)(O)O

Isomeric SMILES

CC(C)(CS)NCCCCN1C(=O)C2=CC=CC=C2C1=O.OP(=O)(O)O

InChI

InChI=1S/C16H22N2O2S.H3O4P/c1-16(2,11-21)17-9-5-6-10-18-14(19)12-7-3-4-8-13(12)15(18)20;1-5(2,3)4/h3-4,7-8,17,21H,5-6,9-11H2,1-2H3;(H3,1,2,3,4)