1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-[(2-ethoxyphenyl)amino]pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-[(2-ethoxyphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(2-ethoxyanilino)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(2-ethoxyanilino)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(2-ethoxyanilino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(o-phenetidino)-3-pyrroline-2,5-quinone Formula: C28H27ClN2O3S MolecularWeight: 507.04358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)NC4=CC=CC=C4OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)NC4=CC=CC=C4OCC

InChI

InChI=1S/C28H27ClN2O3S/c1-3-5-8-19-11-15-21(16-12-19)31-27(32)25(30-23-9-6-7-10-24(23)34-4-2)26(28(31)33)35-22-17-13-20(29)14-18-22/h6-7,9-18,30H,3-5,8H2,1-2H3