2-(4-chlorophenyl)-N-[[(4-propoxyphenyl)carbonylamino]carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[[(4-propoxyphenyl)carbonylamino]carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[[(4-propoxybenzoyl)amino]carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[[[oxo-(4-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[[(4-propoxybenzoyl)amino]carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[[(4-propoxybenzoyl)amino]thiocarbamoyl]cinchoninamide Formula: C27H23ClN4O3S MolecularWeight: 519.01452

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClN4O3S/c1-2-15-35-20-13-9-18(10-14-20)25(33)31-32-27(36)30-26(34)22-16-24(17-7-11-19(28)12-8-17)29-23-6-4-3-5-21(22)23/h3-14,16H,2,15H2,1H3,(H,31,33)(H2,30,32,34,36)