N-[(4-chlorophenyl)methyl]-6-(3-ethylsulfanylprop-1-ynyl)-8-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(3-ethylsulfanylprop-1-ynyl)-8-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-ethylsulfanylprop-1-ynyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-[3-(ethylthio)prop-1-ynyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-ethylsulfanylprop-1-ynyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-[3-(ethylthio)prop-1-ynyl]-8-fluoro-4-keto-1H-quinoline-3-carboxamide Formula: C22H18ClFN2O2S MolecularWeight: 428.906923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC#CC1=CC2=C(C(=C1)F)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCSCC#CC1=CC2=C(C(=C1)F)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClFN2O2S/c1-2-29-9-3-4-15-10-17-20(19(24)11-15)25-13-18(21(17)27)22(28)26-12-14-5-7-16(23)8-6-14/h5-8,10-11,13H,2,9,12H2,1H3,(H,25,27)(H,26,28)