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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-piperonyl-cinchoninamide Formula: C24H17ClN2O3S MolecularWeight: 448.92138

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)SC5=CC(=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)SC5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H17ClN2O3S/c25-16-4-3-5-17(11-16)31-23-12-19(18-6-1-2-7-20(18)27-23)24(28)26-13-15-8-9-21-22(10-15)30-14-29-21/h1-12H,13-14H2,(H,26,28)