N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide

Systemtic Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[(2-sec-butylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-5-(4-chlorophenyl)-2-furancarboxamide IUPAC Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[(2-sec-butylphenyl)thiocarbamoyl]-2-furamide Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O2S/c1-3-14(2)17-6-4-5-7-18(17)24-22(28)25-21(26)20-13-12-19(27-20)15-8-10-16(23)11-9-15/h4-14H,3H2,1-2H3,(H2,24,25,26,28)