N-(heptylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: N-(heptylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(heptylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(heptylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(heptylthiocarbamoyl)-3-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/c1-2-3-4-5-6-10-16-15(22)17-14(19)12-8-7-9-13(11-12)18(20)21/h7-9,11H,2-6,10H2,1H3,(H2,16,17,19,22)