3-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione Openeye Name: 3-[2-(azepane-1-carbonyl)phenyl]sulfanyl-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: 3-[[2-[1-azepanyl(oxo)methyl]phenyl]thio]-1-(4-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[2-(azepane-1-carbonyl)phenyl]sulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione Traditional Name: 3-[[2-(azepane-1-carbonyl)phenyl]thio]-1-(p-tolyl)pyrrolidine-2,5-quinone Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N2O3S/c1-17-10-12-18(13-11-17)26-22(27)16-21(24(26)29)30-20-9-5-4-8-19(20)23(28)25-14-6-2-3-7-15-25/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3