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

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C27H24BrN3O2S MolecularWeight: 534.46736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24BrN3O2S/c1-16(2)33-19-8-6-7-18(14-19)25-15-21(20-9-4-5-10-23(20)29-25)26(32)31-27(34)30-24-12-11-17(3)13-22(24)28/h4-16H,1-3H3,(H2,30,31,32,34)