N-(cyclopentylcarbamothioyl)-3,5-dinitro-benzamide

Systemtic Name: N-(cyclopentylcarbamothioyl)-3,5-dinitro-benzamide Openeye Name: N-(cyclopentylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[(cyclopentylamino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(cyclopentylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: N-(cyclopentylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5S/c18-12(15-13(23)14-9-3-1-2-4-9)8-5-10(16(19)20)7-11(6-8)17(21)22/h5-7,9H,1-4H2,(H2,14,15,18,23)