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

Systemtic Name: 1-(4-butylphenyl)-3-[(4-ethoxyphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-ethoxyanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(4-ethoxyanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-ethoxyanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(p-phenetidino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C29H30N2O3S MolecularWeight: 486.6251

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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)C)NC4=CC=C(C=C4)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3S/c1-4-6-7-21-10-14-23(15-11-21)31-28(32)26(30-22-12-16-24(17-13-22)34-5-2)27(29(31)33)35-25-18-8-20(3)9-19-25/h8-19,30H,4-7H2,1-3H3