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

Systemtic Name: 4,4-dimethyl-2-(1-sulfanylpentyl)isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-2-(1-sulfanylpentyl)isoquinoline-1,3-dione CAS Name: 2-(1-mercaptopentyl)-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(1-sulfanylpentyl)isoquinoline-1,3-dione Traditional Name: 2-(1-mercaptopentyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C16H21NO2S MolecularWeight: 291.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2S/c1-4-5-10-13(20)17-14(18)11-8-6-7-9-12(11)16(2,3)15(17)19/h6-9,13,20H,4-5,10H2,1-3H3