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

Systemtic Name: 1-(4-butylphenyl)-3-[(4-ethoxyphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-ethoxyanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(4-ethoxyanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-ethoxyanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(phenylthio)-4-(p-phenetidino)-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=CC=C3)NC4=CC=C(C=C4)OCC

Isomeric SMILES

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

InChI

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