N-(butylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: N-(butylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(butylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[butylamino(sulfanylidene)methyl]-3-nitrobenzamide IUPAC Name: N-(butylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(butylthiocarbamoyl)-3-nitro-benzamide Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3S/c1-2-3-7-13-12(19)14-11(16)9-5-4-6-10(8-9)15(17)18/h4-6,8H,2-3,7H2,1H3,(H2,13,14,16,19)