2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]isoindoline-1,3-dione CAS Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]isoindole-1,3-dione Traditional Name: 2-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]isoindoline-1,3-quinone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC2=CC=CC=C2C1)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)N1CCC2=CC=CC=C2C1)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O3S/c1-28-13-11-19(24-20(25)17-8-4-5-9-18(17)21(24)26)22(27)23-12-10-15-6-2-3-7-16(15)14-23/h2-9,19H,10-14H2,1H3