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

Systemtic Name: 3-(azepan-1-yl)-1-(3-chloranyl-4-methyl-phenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(3-chloro-4-methyl-phenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(3-chloro-4-methylphenyl)-4-(4-chlorophenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(3-chloro-4-methyl-phenyl)-4-[(4-chlorophenyl)thio]-3-pyrroline-2,5-quinone Formula: C23H22Cl2N2O2S MolecularWeight: 461.40398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22Cl2N2O2S/c1-15-6-9-17(14-19(15)25)27-22(28)20(26-12-4-2-3-5-13-26)21(23(27)29)30-18-10-7-16(24)8-11-18/h6-11,14H,2-5,12-13H2,1H3