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

Systemtic Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-chlorophenyl)thio]-1-(2,4-dimethylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-[(4-chlorophenyl)thio]-1-(2,4-dimethylphenyl)-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)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCCCCC4)C

Isomeric SMILES

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

InChI

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