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

Systemtic Name: 1-(4-butylphenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(4-phenyl-1-piperazinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(4-phenylpiperazino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C30H31N3O2S MolecularWeight: 497.65104

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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)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O2S/c1-2-3-10-23-15-17-25(18-16-23)33-29(34)27(28(30(33)35)36-26-13-8-5-9-14-26)32-21-19-31(20-22-32)24-11-6-4-7-12-24/h4-9,11-18H,2-3,10,19-22H2,1H3