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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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