N-[cyclopropyl-(3-fluorophenyl)methyl]-3-(methylsulfanylmethyl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-(methylsulfanylmethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-(methylsulfanylmethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-[(methylthio)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-(methylsulfanylmethyl)-2-phenylquinoline-4-carboxamide Traditional Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-[(methylthio)methyl]-2-phenyl-cinchoninamide Formula: C28H25FN2OS MolecularWeight: 456.574303

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C4CC4)C5=CC(=CC=C5)F

Isomeric SMILES

CSCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C4CC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H25FN2OS/c1-33-17-23-25(28(32)31-26(19-14-15-19)20-10-7-11-21(29)16-20)22-12-5-6-13-24(22)30-27(23)18-8-3-2-4-9-18/h2-13,16,19,26H,14-15,17H2,1H3,(H,31,32)