N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide Traditional Name: 2-phenyl-N-(5-veratryl-1,3,4-thiadiazol-2-yl)cinchoninamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H22N4O3S/c1-33-23-13-12-17(14-24(23)34-2)15-25-30-31-27(35-25)29-26(32)20-16-22(18-8-4-3-5-9-18)28-21-11-7-6-10-19(20)21/h3-14,16H,15H2,1-2H3,(H,29,31,32)