N-[(4-chlorophenyl)carbamothioyl]-5-nitro-furan-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)carbamothioyl]-5-nitro-furan-3-carboxamide Openeye Name: N-[(4-chlorophenyl)carbamothioyl]-5-nitro-furan-3-carboxamide CAS Name: N-[(4-chloroanilino)-sulfanylidenemethyl]-5-nitro-3-furancarboxamide IUPAC Name: N-[(4-chlorophenyl)carbamothioyl]-5-nitrofuran-3-carboxamide Traditional Name: N-[(4-chlorophenyl)thiocarbamoyl]-5-nitro-3-furamide Formula: C12H8ClN3O4S MolecularWeight: 325.72762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(=O)C2=COC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(=O)C2=COC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H8ClN3O4S/c13-8-1-3-9(4-2-8)14-12(21)15-11(17)7-5-10(16(18)19)20-6-7/h1-6H,(H2,14,15,17,21)