6-carbamothioyl-N-[(4-chlorophenyl)methyl]-8-fluoranyl-4-oxidanyl-6-(3-oxidanylprop-1-ynyl)-5,8a-dihydro-1H-quinoline-3-carboxamide

Systemtic Name: 6-carbamothioyl-N-[(4-chlorophenyl)methyl]-8-fluoranyl-4-oxidanyl-6-(3-oxidanylprop-1-ynyl)-5,8a-dihydro-1H-quinoline-3-carboxamide Openeye Name: 6-carbamothioyl-N-[(4-chlorophenyl)methyl]-8-fluoro-4-hydroxy-6-(3-hydroxyprop-1-ynyl)-5,8a-dihydro-1H-quinoline-3-carboxamide CAS Name: 6-carbamothioyl-N-[(4-chlorophenyl)methyl]-8-fluoro-4-hydroxy-6-(3-hydroxyprop-1-ynyl)-5,8a-dihydro-1H-quinoline-3-carboxamide IUPAC Name: 6-carbamothioyl-N-[(4-chlorophenyl)methyl]-8-fluoro-4-hydroxy-6-(3-hydroxyprop-1-ynyl)-5,8a-dihydro-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-fluoro-4-hydroxy-6-(3-hydroxyprop-1-ynyl)-6-thiocarbamoyl-5,8a-dihydro-1H-quinoline-3-carboxamide Formula: C21H19ClFN3O3S MolecularWeight: 447.910263

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CNC2C(=CC1(C#CCO)C(=S)N)F)C(=O)NCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1C2=C(C(=CNC2C(=CC1(C#CCO)C(=S)N)F)C(=O)NCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H19ClFN3O3S/c22-13-4-2-12(3-5-13)10-26-19(29)15-11-25-17-14(18(15)28)8-21(20(24)30,6-1-7-27)9-16(17)23/h2-5,9,11,17,25,27-28H,7-8,10H2,(H2,24,30)(H,26,29)