5-[2,3-bis(chloranyl)phenyl]-N-[(4-butan-2-ylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-[2,3-bis(chloranyl)phenyl]-N-[(4-butan-2-ylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(2,3-dichlorophenyl)-N-[(4-sec-butylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: N-[(4-butan-2-ylanilino)-sulfanylidenemethyl]-5-(2,3-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide Traditional Name: 5-(2,3-dichlorophenyl)-N-[(4-sec-butylphenyl)thiocarbamoyl]-2-furamide Formula: C22H20Cl2N2O2S MolecularWeight: 447.3774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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