N-[(1S)-1-cyclohexylethyl]-3-methylsulfanyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-methylsulfanyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-methylsulfanyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-(methylthio)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-methylsulfanyl-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-(methylthio)-2-phenyl-cinchoninamide Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)SC

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)SC

InChI

InChI=1S/C25H28N2OS/c1-17(18-11-5-3-6-12-18)26-25(28)22-20-15-9-10-16-21(20)27-23(24(22)29-2)19-13-7-4-8-14-19/h4,7-10,13-18H,3,5-6,11-12H2,1-2H3,(H,26,28)/t17-/m0/s1