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

Systemtic Name: 3-[[2-(1-benzofuran-2-yl)-7-chloranyl-quinolin-5-yl]methylsulfanyl]-N,N-dimethyl-propanamide Openeye Name: 3-[[2-(benzofuran-2-yl)-7-chloro-5-quinolyl]methylsulfanyl]-N,N-dimethyl-propanamide CAS Name: 3-[[2-(2-benzofuranyl)-7-chloro-5-quinolinyl]methylthio]-N,N-dimethylpropanamide IUPAC Name: 3-[[2-(1-benzofuran-2-yl)-7-chloroquinolin-5-yl]methylsulfanyl]-N,N-dimethylpropanamide Traditional Name: 3-[[2-(benzofuran-2-yl)-7-chloro-5-quinolyl]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=CC(=CC2=C1C=CC(=N2)C3=CC4=CC=CC=C4O3)Cl

Isomeric SMILES

CN(C)C(=O)CCSCC1=CC(=CC2=C1C=CC(=N2)C3=CC4=CC=CC=C4O3)Cl

InChI

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