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

Systemtic Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-5-nitro-furan-3-carboxamide Openeye Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-5-nitro-furan-3-carboxamide CAS Name: N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]-5-nitro-3-furancarboxamide IUPAC Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-5-nitrofuran-3-carboxamide Traditional Name: N-[[4-(diethylamino)phenyl]thiocarbamoyl]-5-nitro-3-furamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=COC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=COC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-3-19(4-2)13-7-5-12(6-8-13)17-16(25)18-15(21)11-9-14(20(22)23)24-10-11/h5-10H,3-4H2,1-2H3,(H2,17,18,21,25)