3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethylsulfanyl)-1-[(4-pyridin-2-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethylsulfanyl)-1-[(4-pyridin-2-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanamide Openeye Name: 3-[3-tert-butylsulfanyl-5-(2-pyridylmethylsulfanyl)-1-[[4-(2-pyridyl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanamide CAS Name: 3-[3-(tert-butylthio)-5-(2-pyridinylmethylthio)-1-[[4-(2-pyridinyl)phenyl]methyl]-2-indolyl]-2,2-dimethylpropanamide IUPAC Name: 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethylsulfanyl)-1-[(4-pyridin-2-ylphenyl)methyl]indol-2-yl]-2,2-dimethylpropanamide Traditional Name: 3-[3-(tert-butylthio)-1-[4-(2-pyridyl)benzyl]-5-(2-pyridylmethylthio)indol-2-yl]-2,2-dimethyl-propionamide Formula: C35H38N4OS2 MolecularWeight: 594.83242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)SCC3=CC=CC=N3)CC4=CC=C(C=C4)C5=CC=CC=N5)CC(C)(C)C(=O)N

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)SCC3=CC=CC=N3)CC4=CC=C(C=C4)C5=CC=CC=N5)CC(C)(C)C(=O)N

InChI

InChI=1S/C35H38N4OS2/c1-34(2,3)42-32-28-20-27(41-23-26-10-6-8-18-37-26)16-17-30(28)39(31(32)21-35(4,5)33(36)40)22-24-12-14-25(15-13-24)29-11-7-9-19-38-29/h6-20H,21-23H2,1-5H3,(H2,36,40)