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

Systemtic Name: N-[(phenylmethyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-(benzylcarbamothioyl)-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(benzylcarbamothioyl)-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-(benzylthiocarbamoyl)-2-(3-isopropoxyphenyl)cinchoninamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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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)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2S/c1-18(2)32-21-12-8-11-20(15-21)25-16-23(22-13-6-7-14-24(22)29-25)26(31)30-27(33)28-17-19-9-4-3-5-10-19/h3-16,18H,17H2,1-2H3,(H2,28,30,31,33)