3-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanamide

Systemtic Name: 3-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanamide Openeye Name: 3-[4-phenyl-1-[4-(2-quinolylmethoxy)phenyl]butyl]sulfanylpropanamide CAS Name: 3-[[4-phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl]thio]propanamide IUPAC Name: 3-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanamide Traditional Name: 3-[[4-phenyl-1-[4-(2-quinolylmethoxy)phenyl]butyl]thio]propionamide Formula: C29H30N2O2S MolecularWeight: 470.6257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCCC(=O)N

InChI

InChI=1S/C29H30N2O2S/c30-29(32)19-20-34-28(12-6-9-22-7-2-1-3-8-22)24-14-17-26(18-15-24)33-21-25-16-13-23-10-4-5-11-27(23)31-25/h1-5,7-8,10-11,13-18,28H,6,9,12,19-21H2,(H2,30,32)