N-[phenyl-(phenylmethyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[phenyl-(phenylmethyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[benzyl(phenyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[benzyl(phenyl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C33H29N3O2S MolecularWeight: 531.66726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)N(CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)N(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29N3O2S/c1-23(2)38-27-17-11-14-25(20-27)31-21-29(28-18-9-10-19-30(28)34-31)32(37)35-33(39)36(26-15-7-4-8-16-26)22-24-12-5-3-6-13-24/h3-21,23H,22H2,1-2H3,(H,35,37,39)