N-[2-oxidanylidene-6-(4-phenylsulfanylbutoxy)-1H-quinolin-5-yl]ethanamide

Systemtic Name: N-[2-oxidanylidene-6-(4-phenylsulfanylbutoxy)-1H-quinolin-5-yl]ethanamide Openeye Name: N-[2-oxo-6-(4-phenylsulfanylbutoxy)-1H-quinolin-5-yl]acetamide CAS Name: N-[2-oxo-6-[4-(phenylthio)butoxy]-1H-quinolin-5-yl]acetamide IUPAC Name: N-[2-oxo-6-(4-phenylsulfanylbutoxy)-1H-quinolin-5-yl]acetamide Traditional Name: N-[2-keto-6-[4-(phenylthio)butoxy]-1H-quinolin-5-yl]acetamide Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC2=C1C=CC(=O)N2)OCCCCSC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=C(C=CC2=C1C=CC(=O)N2)OCCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-15(24)22-21-17-9-12-20(25)23-18(17)10-11-19(21)26-13-5-6-14-27-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14H2,1H3,(H,22,24)(H,23,25)