2-(4-ethylphenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-ethylphenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide CAS Name: 2-[(4-ethylphenyl)thio]-N-(2-methylcyclohexyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide Traditional Name: 2-[(4-ethylphenyl)thio]-N-(2-methylcyclohexyl)cinchoninamide Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCCCC4C

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCCCC4C

InChI

InChI=1S/C25H28N2OS/c1-3-18-12-14-19(15-13-18)29-24-16-21(20-9-5-7-11-23(20)26-24)25(28)27-22-10-6-4-8-17(22)2/h5,7,9,11-17,22H,3-4,6,8,10H2,1-2H3,(H,27,28)