4-chloranyl-N-(diethylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(diethylcarbamothioyl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(diethylcarbamothioyl)-3-nitro-benzamide CAS Name: 4-chloro-N-[diethylamino(sulfanylidene)methyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-(diethylcarbamothioyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(diethylthiocarbamoyl)-3-nitro-benzamide Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O3S/c1-3-15(4-2)12(20)14-11(17)8-5-6-9(13)10(7-8)16(18)19/h5-7H,3-4H2,1-2H3,(H,14,17,20)