3-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methylsulfanyl]-N,N-dimethyl-propanamide

Systemtic Name: 3-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methylsulfanyl]-N,N-dimethyl-propanamide Openeye Name: 3-[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methylsulfanyl]-N,N-dimethyl-propanamide CAS Name: 3-[[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]methylthio]-N,N-dimethylpropanamide IUPAC Name: 3-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]methylsulfanyl]-N,N-dimethylpropanamide Traditional Name: 3-[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methylthio]-N,N-dimethyl-propionamide Formula: C23H21ClN2O2S MolecularWeight: 424.94304

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCSCC1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=CC(=C4)Cl)C=C3

Isomeric SMILES

CN(C)C(=O)CCSCC1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=CC(=C4)Cl)C=C3

InChI

InChI=1S/C23H21ClN2O2S/c1-26(2)23(27)9-10-29-14-15-3-8-21-17(11-15)12-22(28-21)19-7-5-16-4-6-18(24)13-20(16)25-19/h3-8,11-13H,9-10,14H2,1-2H3