3-[(4-methoxyphenyl)methylsulfanyl]-1,4-bis(phenylmethyl)piperazine-2,5-dione

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-1,4-bis(phenylmethyl)piperazine-2,5-dione Openeye Name: 1,4-dibenzyl-3-[(4-methoxyphenyl)methylsulfanyl]piperazine-2,5-dione CAS Name: 3-[(4-methoxyphenyl)methylthio]-1,4-bis(phenylmethyl)piperazine-2,5-dione IUPAC Name: 1,4-dibenzyl-3-[(4-methoxyphenyl)methylsulfanyl]piperazine-2,5-dione Traditional Name: 1,4-dibenzyl-3-(p-anisylthio)piperazine-2,5-quinone Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2C(=O)N(CC(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2C(=O)N(CC(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S/c1-31-23-14-12-22(13-15-23)19-32-26-25(30)27(16-20-8-4-2-5-9-20)18-24(29)28(26)17-21-10-6-3-7-11-21/h2-15,26H,16-19H2,1H3