2-(2-chlorophenyl)-N-[ethyl(pyridin-4-ylmethyl)carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(2-chlorophenyl)-N-[ethyl(pyridin-4-ylmethyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(2-chlorophenyl)-N-[ethyl(4-pyridylmethyl)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(2-chlorophenyl)-N-[[ethyl(pyridin-4-ylmethyl)amino]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(2-chlorophenyl)-N-[ethyl(pyridin-4-ylmethyl)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(2-chlorophenyl)-N-[ethyl(4-pyridylmethyl)thiocarbamoyl]cinchoninamide Formula: C25H21ClN4OS MolecularWeight: 460.97844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H21ClN4OS/c1-2-30(16-17-11-13-27-14-12-17)25(32)29-24(31)20-15-23(19-8-3-5-9-21(19)26)28-22-10-6-4-7-18(20)22/h3-15H,2,16H2,1H3,(H,29,31,32)