N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[(2-sec-butylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: 5-(3-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)17-9-4-5-10-18(17)23-22(30)24-21(26)20-12-11-19(29-20)15-7-6-8-16(13-15)25(27)28/h4-14H,3H2,1-2H3,(H2,23,24,26,30)