5-(3-chloranyl-4-methyl-phenyl)-N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-(5-quinolylcarbamothioyl)furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[(5-quinolinylamino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-(5-quinolylthiocarbamoyl)-2-furamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=N4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=N4)Cl

InChI

InChI=1S/C22H16ClN3O2S/c1-13-7-8-14(12-16(13)23)19-9-10-20(28-19)21(27)26-22(29)25-18-6-2-5-17-15(18)4-3-11-24-17/h2-12H,1H3,(H2,25,26,27,29)