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

Systemtic Name: 1-(4-butylphenyl)-3-[(4-methoxyphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-methoxyanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(4-methoxyanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-methoxyanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(p-anisidino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H26N2O3S MolecularWeight: 458.57194

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3S/c1-3-4-8-19-11-15-21(16-12-19)29-26(30)24(28-20-13-17-22(32-2)18-14-20)25(27(29)31)33-23-9-6-5-7-10-23/h5-7,9-18,28H,3-4,8H2,1-2H3