2-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylphenyl)quinoline-4-carboxamide hydrochloride

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylphenyl)quinoline-4-carboxamide hydrochloride Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylphenyl)quinoline-4-carboxamide hydrochloride CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(methylthio)phenyl]-4-quinolinecarboxamide hydrochloride IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylphenyl)quinoline-4-carboxamide hydrochloride Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(methylthio)phenyl]cinchoninamide hydrochloride Formula: C24H19ClN2O3S MolecularWeight: 450.93726

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5.Cl

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5.Cl

InChI

InChI=1S/C24H18N2O3S.ClH/c1-30-23-9-5-4-8-19(23)26-24(27)17-13-20(25-18-7-3-2-6-16(17)18)15-10-11-21-22(12-15)29-14-28-21;/h2-13H,14H2,1H3,(H,26,27);1H