N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-2-(p-tolylthio)cinchoninamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN(C)C

InChI

InChI=1S/C22H25N3OS/c1-16-9-11-17(12-10-16)27-21-15-19(18-7-4-5-8-20(18)24-21)22(26)23-13-6-14-25(2)3/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,23,26)