N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-piperonyl-2-(p-tolylthio)cinchoninamide Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N2O3S/c1-16-6-9-18(10-7-16)31-24-13-20(19-4-2-3-5-21(19)27-24)25(28)26-14-17-8-11-22-23(12-17)30-15-29-22/h2-13H,14-15H2,1H3,(H,26,28)