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

Systemtic Name: N-[2-[2-[(2-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-[(2-fluorophenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[(2-fluoroanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[(2-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[N'-[(2-fluorophenyl)thiocarbamoyl]hydrazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C16H14FN5O4S MolecularWeight: 391.376863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN5O4S/c17-12-6-1-2-7-13(12)19-16(27)21-20-14(23)9-18-15(24)10-4-3-5-11(8-10)22(25)26/h1-8H,9H2,(H,18,24)(H,20,23)(H2,19,21,27)