2-[4-(4-chlorophenyl)-3-(4-thiophen-3-ylphenyl)butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-chlorophenyl)-3-(4-thiophen-3-ylphenyl)butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[3-(4-chlorophenyl)-1-methyl-2-[4-(3-thienyl)phenyl]propyl]isoindoline-1,3-dione CAS Name: 2-[4-(4-chlorophenyl)-3-[4-(3-thiophenyl)phenyl]butan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-chlorophenyl)-3-(4-thiophen-3-ylphenyl)butan-2-yl]isoindole-1,3-dione Traditional Name: 2-[3-(4-chlorophenyl)-1-methyl-2-[4-(3-thienyl)phenyl]propyl]isoindoline-1,3-quinone Formula: C28H22ClNO2S MolecularWeight: 471.99778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C3=CSC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C3=CSC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H22ClNO2S/c1-18(30-27(31)24-4-2-3-5-25(24)28(30)32)26(16-19-6-12-23(29)13-7-19)21-10-8-20(9-11-21)22-14-15-33-17-22/h2-15,17-18,26H,16H2,1H3