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

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

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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=C(C=C4)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)OCC

InChI

InChI=1S/C28H27ClN2O3S/c1-3-5-6-19-7-13-22(14-8-19)31-27(32)25(30-21-11-15-23(16-12-21)34-4-2)26(28(31)33)35-24-17-9-20(29)10-18-24/h7-18,30H,3-6H2,1-2H3