N-(2,2-dimethoxyethyl)-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(2,2-dimethoxyethyl)-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2,2-dimethoxyethyl)-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: N-(2,2-dimethoxyethyl)-2-[(4-methylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(2,2-dimethoxyethyl)-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(2,2-dimethoxyethyl)-2-(p-tolylthio)cinchoninamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-14-8-10-15(11-9-14)27-19-12-17(16-6-4-5-7-18(16)23-19)21(24)22-13-20(25-2)26-3/h4-12,20H,13H2,1-3H3,(H,22,24)