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

Systemtic Name: 1-(4-butylphenyl)-3-[(2-ethoxyphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(2-ethoxyanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(2-ethoxyanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(2-ethoxyanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(o-phenetidino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C28H28N2O3S MolecularWeight: 472.59852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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