1-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)thio]-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 1-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-(4-phenylpiperazino)-1-p-phenetyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C29H29N3O3S MolecularWeight: 499.62386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3S/c1-3-35-24-13-11-23(12-14-24)32-28(33)26(27(29(32)34)36-25-15-9-21(2)10-16-25)31-19-17-30(18-20-31)22-7-5-4-6-8-22/h4-16H,3,17-20H2,1-2H3