N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(3-methoxypropyl)-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: N-(3-methoxypropyl)-2-[(4-methylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(3-methoxypropyl)-2-(p-tolylthio)cinchoninamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-15-8-10-16(11-9-15)26-20-14-18(21(24)22-12-5-13-25-2)17-6-3-4-7-19(17)23-20/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,24)