N-[2-[2-[(2-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-[2-[(2-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-[2-[(2-fluorophenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-[[(2-fluoroanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-[2-[(2-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-[N'-[(2-fluorophenyl)thiocarbamoyl]hydrazino]-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C17H16FN5O5S MolecularWeight: 421.402843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NNC(=S)NC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NNC(=S)NC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN5O5S/c1-28-14-7-6-10(8-13(14)23(26)27)16(25)19-9-15(24)21-22-17(29)20-12-5-3-2-4-11(12)18/h2-8H,9H2,1H3,(H,19,25)(H,21,24)(H2,20,22,29)