N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-(homoveratrylthiocarbamoyl)-2-phenyl-cinchoninamide Formula: C27H25N3O3S MolecularWeight: 471.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H25N3O3S/c1-32-24-13-12-18(16-25(24)33-2)14-15-28-27(34)30-26(31)21-17-23(19-8-4-3-5-9-19)29-22-11-7-6-10-20(21)22/h3-13,16-17H,14-15H2,1-2H3,(H2,28,30,31,34)