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

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-(4-phenoxyphenyl)-3-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-[(4-methylphenyl)thio]-1-(4-phenoxyphenyl)-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 1-(4-phenoxyphenyl)-3-(4-phenylpiperazino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C33H29N3O3S MolecularWeight: 547.66666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H29N3O3S/c1-24-12-18-29(19-13-24)40-31-30(35-22-20-34(21-23-35)25-8-4-2-5-9-25)32(37)36(33(31)38)26-14-16-28(17-15-26)39-27-10-6-3-7-11-27/h2-19H,20-23H2,1H3