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

Systemtic Name: 5-(3-nitrophenyl)-N-[(2-propan-2-ylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: N-[(2-isopropylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[(2-propan-2-ylanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[(2-propan-2-ylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-(o-cumenylthiocarbamoyl)-2-furamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-13(2)16-8-3-4-9-17(16)22-21(29)23-20(25)19-11-10-18(28-19)14-6-5-7-15(12-14)24(26)27/h3-13H,1-2H3,(H2,22,23,25,29)