N-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[[5-oxidanyl-2,4-bis(phenylsulfanyl)phenyl]amino]phenyl]ethanamide

Systemtic Name: N-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[[5-oxidanyl-2,4-bis(phenylsulfanyl)phenyl]amino]phenyl]ethanamide Openeye Name: N-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[5-hydroxy-2,4-bis(phenylsulfanyl)anilino]phenyl]acetamide CAS Name: N-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-hydroxy-2,4-bis(phenylthio)anilino]phenyl]acetamide IUPAC Name: N-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-hydroxy-2,4-bis(phenylsulfanyl)anilino]phenyl]acetamide Traditional Name: N-(2,4-ditert-amylphenoxy)-N-[4-[5-hydroxy-2,4-bis(phenylthio)anilino]phenyl]acetamide Formula: C42H46N2O3S2 MolecularWeight: 690.95624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)ON(C2=CC=C(C=C2)NC3=CC(=C(C=C3SC4=CC=CC=C4)SC5=CC=CC=C5)O)C(=O)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)ON(C2=CC=C(C=C2)NC3=CC(=C(C=C3SC4=CC=CC=C4)SC5=CC=CC=C5)O)C(=O)C)C(C)(C)CC

InChI

InChI=1S/C42H46N2O3S2/c1-8-41(4,5)30-20-25-38(35(26-30)42(6,7)9-2)47-44(29(3)45)32-23-21-31(22-24-32)43-36-27-37(46)40(49-34-18-14-11-15-19-34)28-39(36)48-33-16-12-10-13-17-33/h10-28,43,46H,8-9H2,1-7H3