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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-[(E)-3-ethylsulfanylprop-1-enyl]-8-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-[(E)-3-ethylsulfanylprop-1-enyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-[(E)-3-(ethylthio)prop-1-enyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-[(E)-3-ethylsulfanylprop-1-enyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-[(E)-3-(ethylthio)prop-1-enyl]-8-fluoro-4-keto-1H-quinoline-3-carboxamide Formula: C22H20ClFN2O2S MolecularWeight: 430.922803

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC=CC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

Isomeric SMILES

CCSC/C=C/C1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C22H20ClFN2O2S/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/h3-8,10-11,13H,2,9,12H2,1H3,(H,25,27)(H,26,28)/b4-3+