N-(heptylcarbamothioyl)-4-nitro-benzamide

Systemtic Name: N-(heptylcarbamothioyl)-4-nitro-benzamide Openeye Name: N-(heptylcarbamothioyl)-4-nitro-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-(heptylcarbamothioyl)-4-nitrobenzamide Traditional Name: N-(heptylthiocarbamoyl)-4-nitro-benzamide Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-2-3-4-5-6-11-16-15(22)17-14(19)12-7-9-13(10-8-12)18(20)21/h7-10H,2-6,11H2,1H3,(H2,16,17,19,22)