3-nitro-N-[2-oxidanylidene-2-[2-(pentylcarbamothioyl)hydrazinyl]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[2-(pentylcarbamothioyl)hydrazinyl]ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[2-(pentylcarbamothioyl)hydrazino]ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[[(pentylamino)-sulfanylidenemethyl]hydrazo]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[2-(pentylcarbamothioyl)hydrazinyl]ethyl]benzamide Traditional Name: N-[2-[N'-(amylthiocarbamoyl)hydrazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C15H21N5O4S MolecularWeight: 367.42334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O4S/c1-2-3-4-8-16-15(25)19-18-13(21)10-17-14(22)11-6-5-7-12(9-11)20(23)24/h5-7,9H,2-4,8,10H2,1H3,(H,17,22)(H,18,21)(H2,16,19,25)