5-(3,4-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dichlorophenyl)-N-[(2-methyl-5-quinolyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dichlorophenyl)-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dichlorophenyl)-N-[(2-methyl-5-quinolyl)thiocarbamoyl]-2-furamide Formula: C22H15Cl2N3O2S MolecularWeight: 456.3444

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H15Cl2N3O2S/c1-12-5-7-14-17(25-12)3-2-4-18(14)26-22(30)27-21(28)20-10-9-19(29-20)13-6-8-15(23)16(24)11-13/h2-11H,1H3,(H2,26,27,28,30)