2-(3-chlorophenyl)sulfanyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(3,5-dimethyl-1-piperidyl)propyl]quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-[3-(3,5-dimethylpiperidino)propyl]cinchoninamide Formula: C26H30ClN3OS MolecularWeight: 468.0539

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1CC(CN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C26H30ClN3OS/c1-18-13-19(2)17-30(16-18)12-6-11-28-26(31)23-15-25(29-24-10-4-3-9-22(23)24)32-21-8-5-7-20(27)14-21/h3-5,7-10,14-15,18-19H,6,11-13,16-17H2,1-2H3,(H,28,31)