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

Systemtic Name: N-[(3-methylphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: 2-(3-isopropoxyphenyl)-N-(m-tolylcarbamothioyl)quinoline-4-carboxamide CAS Name: N-[(3-methylanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(3-methylphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(3-isopropoxyphenyl)-N-(m-tolylthiocarbamoyl)cinchoninamide Formula: C27H25N3O2S MolecularWeight: 455.5713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O2S/c1-17(2)32-21-11-7-9-19(15-21)25-16-23(22-12-4-5-13-24(22)29-25)26(31)30-27(33)28-20-10-6-8-18(3)14-20/h4-17H,1-3H3,(H2,28,30,31,33)