5-[2,5-bis(chloranyl)phenyl]-N-[(2-butan-2-ylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-[2,5-bis(chloranyl)phenyl]-N-[(2-butan-2-ylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(2,5-dichlorophenyl)-N-[(2-sec-butylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-5-(2,5-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide Traditional Name: 5-(2,5-dichlorophenyl)-N-[(2-sec-butylphenyl)thiocarbamoyl]-2-furamide Formula: C22H20Cl2N2O2S MolecularWeight: 447.3774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O2S/c1-3-13(2)15-6-4-5-7-18(15)25-22(29)26-21(27)20-11-10-19(28-20)16-12-14(23)8-9-17(16)24/h4-13H,3H2,1-2H3,(H2,25,26,27,29)