1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-phenyl-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-phenyl-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-1-phenyl-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S/c31-26-24(29-18-16-28(17-19-29)20-21-10-4-1-5-11-21)25(33-23-14-8-3-9-15-23)27(32)30(26)22-12-6-2-7-13-22/h1-15H,16-20H2