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

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethyl]benzamide Openeye Name: N-[2-[2-(isopropylcarbamothioyl)hydrazino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[2-oxo-2-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazo]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethyl]benzamide Traditional Name: N-[2-[N'-(isopropylthiocarbamoyl)hydrazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C13H17N5O4S MolecularWeight: 339.37018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O4S/c1-8(2)15-13(23)17-16-11(19)7-14-12(20)9-4-3-5-10(6-9)18(21)22/h3-6,8H,7H2,1-2H3,(H,14,20)(H,16,19)(H2,15,17,23)