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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C

InChI

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