2-(3-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-[2-(p-tolyl)ethyl]quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-[2-(4-methylphenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-[2-(p-tolyl)ethyl]cinchoninamide Formula: C25H21ClN2OS MolecularWeight: 432.96504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H21ClN2OS/c1-17-9-11-18(12-10-17)13-14-27-25(29)22-16-24(28-23-8-3-2-7-21(22)23)30-20-6-4-5-19(26)15-20/h2-12,15-16H,13-14H2,1H3,(H,27,29)