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

Systemtic Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: 5-(2-nitrophenyl)-N-[(2-sec-butylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: 5-(2-nitrophenyl)-N-[(2-sec-butylphenyl)thiocarbamoyl]-2-furamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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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=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4S/c1-3-14(2)15-8-4-6-10-17(15)23-22(30)24-21(26)20-13-12-19(29-20)16-9-5-7-11-18(16)25(27)28/h4-14H,3H2,1-2H3,(H2,23,24,26,30)