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

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[2-[(phenylmethyl)carbamothioyl]hydrazinyl]ethyl]benzamide Openeye Name: N-[2-[2-(benzylcarbamothioyl)hydrazino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[2-oxo-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]ethyl]benzamide IUPAC Name: N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[N'-(benzylthiocarbamoyl)hydrazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c23-15(20-21-17(27)19-10-12-5-2-1-3-6-12)11-18-16(24)13-7-4-8-14(9-13)22(25)26/h1-9H,10-11H2,(H,18,24)(H,20,23)(H2,19,21,27)