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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-1-phenyl-4-[4-(phenylmethyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenylpyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-4-[(4-chlorophenyl)thio]-1-phenyl-3-pyrroline-2,5-quinone Formula: C27H24ClN3O2S MolecularWeight: 490.01636

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O2S/c28-21-11-13-23(14-12-21)34-25-24(26(32)31(27(25)33)22-9-5-2-6-10-22)30-17-15-29(16-18-30)19-20-7-3-1-4-8-20/h1-14H,15-19H2