N-(heptylcarbamothioyl)-2-nitro-benzamide

Systemtic Name: N-(heptylcarbamothioyl)-2-nitro-benzamide Openeye Name: N-(heptylcarbamothioyl)-2-nitro-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-(heptylcarbamothioyl)-2-nitrobenzamide Traditional Name: N-(heptylthiocarbamoyl)-2-nitro-benzamide Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-2-3-4-5-8-11-16-15(22)17-14(19)12-9-6-7-10-13(12)18(20)21/h6-7,9-10H,2-5,8,11H2,1H3,(H2,16,17,19,22)