N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-7-fluoranyl-2-methyl-quinoline-3-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-7-fluoranyl-2-methyl-quinoline-3-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-7-fluoro-2-methyl-quinoline-3-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-7-fluoro-2-methyl-3-quinolinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-7-fluoro-2-methyl-quinoline-3-carboxamide Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H21FN4OS/c1-13-16(11-14-7-8-15(23)12-20(14)24-13)22(28)27-19(9-10-29-2)21-25-17-5-3-4-6-18(17)26-21/h3-8,11-12,19H,9-10H2,1-2H3,(H,25,26)(H,27,28)