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

Systemtic Name: 1-(4-butylphenyl)-3-[(2-methoxyphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(2-methoxyanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(2-methoxyanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(2-methoxyanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(o-anisidino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C28H28N2O3S MolecularWeight: 472.59852

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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=C4OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC=CC=C4OC

InChI

InChI=1S/C28H28N2O3S/c1-4-5-8-20-13-15-21(16-14-20)30-27(31)25(29-23-9-6-7-10-24(23)33-3)26(28(30)32)34-22-17-11-19(2)12-18-22/h6-7,9-18,29H,4-5,8H2,1-3H3