N-tert-butyl-3-[[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-(2-cyanoethylsulfanyl)methyl]sulfanyl-propanamide

Systemtic Name: N-tert-butyl-3-[[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-(2-cyanoethylsulfanyl)methyl]sulfanyl-propanamide Openeye Name: N-tert-butyl-3-[[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-(2-cyanoethylsulfanyl)methyl]sulfanyl-propanamide CAS Name: N-tert-butyl-3-[[[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-(2-cyanoethylthio)methyl]thio]propanamide IUPAC Name: N-tert-butyl-3-[[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-(2-cyanoethylsulfanyl)methyl]sulfanylpropanamide Traditional Name: N-tert-butyl-3-[[[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-(2-cyanoethylthio)methyl]thio]propionamide Formula: C27H30ClN3O2S2 MolecularWeight: 528.129

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCSC(C1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC#N

Isomeric SMILES

CC(C)(C)NC(=O)CCSC(C1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC#N

InChI

InChI=1S/C27H30ClN3O2S2/c1-27(2,3)31-25(32)12-15-35-26(34-14-5-13-29)20-6-4-7-23(16-20)33-18-22-11-9-19-8-10-21(28)17-24(19)30-22/h4,6-11,16-17,26H,5,12,14-15,18H2,1-3H3,(H,31,32)