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

Systemtic Name: 1-(4-butylphenyl)-3-[(2-ethoxyphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(2-ethoxyanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(2-ethoxyanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(2-ethoxyanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(o-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=CC=C4OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3S/c1-4-6-9-21-14-16-22(17-15-21)31-28(32)26(30-24-10-7-8-11-25(24)34-5-2)27(29(31)33)35-23-18-12-20(3)13-19-23/h7-8,10-19,30H,4-6,9H2,1-3H3