5-(2-azanylethylamino)-N,N-bis[2-methyl-2-(triphenylmethyl)sulfanyl-propyl]pentanamide

Systemtic Name: 5-(2-azanylethylamino)-N,N-bis[2-methyl-2-(triphenylmethyl)sulfanyl-propyl]pentanamide Openeye Name: 5-(2-aminoethylamino)-N,N-bis(2-methyl-2-tritylsulfanyl-propyl)pentanamide CAS Name: 5-(2-aminoethylamino)-N,N-bis[2-methyl-2-[(triphenylmethyl)thio]propyl]pentanamide IUPAC Name: 5-(2-aminoethylamino)-N,N-bis(2-methyl-2-tritylsulfanylpropyl)pentanamide Traditional Name: 5-(2-aminoethylamino)-N,N-bis[2-methyl-2-(tritylthio)propyl]valeramide Formula: C53H61N3OS2 MolecularWeight: 820.20094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN(CC(C)(C)SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCCNCCN)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(CN(CC(C)(C)SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCCNCCN)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C53H61N3OS2/c1-50(2,58-52(43-25-11-5-12-26-43,44-27-13-6-14-28-44)45-29-15-7-16-30-45)41-56(49(57)37-23-24-39-55-40-38-54)42-51(3,4)59-53(46-31-17-8-18-32-46,47-33-19-9-20-34-47)48-35-21-10-22-36-48/h5-22,25-36,55H,23-24,37-42,54H2,1-4H3