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

Systemtic Name: 1-(4-butylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(4-methylphenyl)thio]-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(4-phenylpiperazino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=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/C31H33N3O2S/c1-3-4-8-24-13-15-26(16-14-24)34-30(35)28(29(31(34)36)37-27-17-11-23(2)12-18-27)33-21-19-32(20-22-33)25-9-6-5-7-10-25/h5-7,9-18H,3-4,8,19-22H2,1-2H3