5-(4-bromophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(2-methyl-5-quinolyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(2-methyl-5-quinolyl)thiocarbamoyl]-2-furamide Formula: C22H16BrN3O2S MolecularWeight: 466.35034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O2S/c1-13-5-10-16-17(24-13)3-2-4-18(16)25-22(29)26-21(27)20-12-11-19(28-20)14-6-8-15(23)9-7-14/h2-12H,1H3,(H2,25,26,27,29)