N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-fluorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-fluorophenyl)quinoline-4-carboxamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-2-(4-fluorophenyl)quinoline-4-carboxamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-2-(4-fluorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-fluorophenyl)quinoline-4-carboxamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-2-(4-fluorophenyl)cinchoninamide Formula: C22H17FN4O2S2 MolecularWeight: 452.524383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)SCC(=O)N

InChI

InChI=1S/C22H17FN4O2S2/c1-12-21(30-11-19(24)28)31-22(25-12)27-20(29)16-10-18(13-6-8-14(23)9-7-13)26-17-5-3-2-4-15(16)17/h2-10H,11H2,1H3,(H2,24,28)(H,25,27,29)