3-(azepan-1-yl)-1-(4-methylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-(4-methylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(p-tolyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(4-methylphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(p-tolyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCCCCC4

InChI

InChI=1S/C24H26N2O2S/c1-17-7-11-19(12-8-17)26-23(27)21(25-15-5-3-4-6-16-25)22(24(26)28)29-20-13-9-18(2)10-14-20/h7-14H,3-6,15-16H2,1-2H3