4,4-dimethyl-2-(1-sulfanylpropyl)isoquinoline-1,3-dione

Systemtic Name: 4,4-dimethyl-2-(1-sulfanylpropyl)isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-2-(1-sulfanylpropyl)isoquinoline-1,3-dione CAS Name: 2-(1-mercaptopropyl)-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(1-sulfanylpropyl)isoquinoline-1,3-dione Traditional Name: 2-(1-mercaptopropyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C(=O)C2=CC=CC=C2C(C1=O)(C)C)S

Isomeric SMILES

CCC(N1C(=O)C2=CC=CC=C2C(C1=O)(C)C)S

InChI

InChI=1S/C14H17NO2S/c1-4-11(18)15-12(16)9-7-5-6-8-10(9)14(2,3)13(15)17/h5-8,11,18H,4H2,1-3H3