N-[(5-tert-butyl-2-oxidanyl-phenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(5-tert-butyl-2-oxidanyl-phenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(5-tert-butyl-2-hydroxy-phenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[(5-tert-butyl-2-hydroxyanilino)-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(5-tert-butyl-2-hydroxy-phenyl)thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-22(2,3)13-8-9-17(26)15(12-13)23-21(31)24-20(27)19-11-10-18(30-19)14-6-4-5-7-16(14)25(28)29/h4-12,26H,1-3H3,(H2,23,24,27,31)