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

Systemtic Name: 3-(azepan-1-yl)-1-(3-chlorophenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(3-chlorophenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(3-chlorophenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(3-chlorophenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(3-chlorophenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C23H23ClN2O2S MolecularWeight: 426.95892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O2S/c1-16-9-11-19(12-10-16)29-21-20(25-13-4-2-3-5-14-25)22(27)26(23(21)28)18-8-6-7-17(24)15-18/h6-12,15H,2-5,13-14H2,1H3