2-(3-bromophenyl)-N-[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioyl-quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioyl-quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[[4-(2-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cinchoninamide Formula: C27H23BrN4O2S MolecularWeight: 547.46612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C27H23BrN4O2S/c28-19-7-5-6-18(16-19)23-17-21(20-8-1-2-9-22(20)29-23)26(34)30-27(35)32-14-12-31(13-15-32)24-10-3-4-11-25(24)33/h1-11,16-17,33H,12-15H2,(H,30,34,35)