2-(2-chlorophenyl)-N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(2-chlorophenyl)-N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-2-(2-chlorophenyl)quinoline-4-carboxamide CAS Name: 2-(2-chlorophenyl)-N-[[2-hydroxyethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-2-(2-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-[benzyl(2-hydroxyethyl)thiocarbamoyl]-2-(2-chlorophenyl)cinchoninamide Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H22ClN3O2S/c27-22-12-6-4-11-20(22)24-16-21(19-10-5-7-13-23(19)28-24)25(32)29-26(33)30(14-15-31)17-18-8-2-1-3-9-18/h1-13,16,31H,14-15,17H2,(H,29,32,33)