2-(3-bromophenyl)-N-[(4-hydroxyphenyl)-methyl-carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-[(4-hydroxyphenyl)-methyl-carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-[(4-hydroxyphenyl)-methyl-carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[(4-hydroxy-N-methylanilino)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-[(4-hydroxyphenyl)-methylcarbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-[(4-hydroxyphenyl)-methyl-thiocarbamoyl]cinchoninamide Formula: C24H18BrN3O2S MolecularWeight: 492.38762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18BrN3O2S/c1-28(17-9-11-18(29)12-10-17)24(31)27-23(30)20-14-22(15-5-4-6-16(25)13-15)26-21-8-3-2-7-19(20)21/h2-14,29H,1H3,(H,27,30,31)