N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide

Systemtic Name: N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-5-(4-chlorophenyl)-2-furancarboxamide IUPAC Name: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]-2-furamide Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3S/c1-3-13(2)15-6-9-18(26)17(12-15)24-22(29)25-21(27)20-11-10-19(28-20)14-4-7-16(23)8-5-14/h4-13,26H,3H2,1-2H3,(H2,24,25,27,29)