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

Systemtic Name: N-[2-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-(isopentylcarbamothioyl)hydrazino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[N'-(isoamylthiocarbamoyl)hydrazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C15H21N5O4S MolecularWeight: 367.42334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O4S/c1-10(2)6-7-16-15(25)19-18-13(21)9-17-14(22)11-4-3-5-12(8-11)20(23)24/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,22)(H,18,21)(H2,16,19,25)