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

Systemtic Name: 3-(azepan-1-yl)-1-(4-chloranyl-2-methyl-phenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-chloro-2-methyl-phenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(4-chloro-2-methylphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(4-chloro-2-methyl-phenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C24H25ClN2O2S MolecularWeight: 440.9855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C)N4CCCCCC4

InChI

InChI=1S/C24H25ClN2O2S/c1-16-7-10-19(11-8-16)30-22-21(26-13-5-3-4-6-14-26)23(28)27(24(22)29)20-12-9-18(25)15-17(20)2/h7-12,15H,3-6,13-14H2,1-2H3