5-(3,4-dimethylphenyl)-N-[(4-methyl-2-oxidanyl-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(4-methyl-2-oxidanyl-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2-hydroxy-4-methyl-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(2-hydroxy-4-methylanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2-hydroxy-4-methyl-phenyl)thiocarbamoyl]-2-furamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)C)C)O

InChI

InChI=1S/C21H20N2O3S/c1-12-4-7-16(17(24)10-12)22-21(27)23-20(25)19-9-8-18(26-19)15-6-5-13(2)14(3)11-15/h4-11,24H,1-3H3,(H2,22,23,25,27)