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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-piperonyl-2-(p-phenetylthio)cinchoninamide Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H22N2O4S/c1-2-30-18-8-10-19(11-9-18)33-25-14-21(20-5-3-4-6-22(20)28-25)26(29)27-15-17-7-12-23-24(13-17)32-16-31-23/h3-14H,2,15-16H2,1H3,(H,27,29)