5-(3-nitrophenyl)-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: N-[(2-hydroxy-5-isopropyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(2-hydroxy-5-propan-2-ylanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(2-hydroxy-5-isopropyl-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H19N3O5S/c1-12(2)13-6-7-17(25)16(11-13)22-21(30)23-20(26)19-9-8-18(29-19)14-4-3-5-15(10-14)24(27)28/h3-12,25H,1-2H3,(H2,22,23,26,30)