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

Systemtic Name: N-[3-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-[(4-fluorophenyl)carbamothioyl]hydrazino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazo]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[N'-[(4-fluorophenyl)thiocarbamoyl]hydrazino]-3-keto-propyl]-4-nitro-benzamide Formula: C17H16FN5O4S MolecularWeight: 405.403443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)NNC(=S)NC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)NNC(=S)NC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN5O4S/c18-12-3-5-13(6-4-12)20-17(28)22-21-15(24)9-10-19-16(25)11-1-7-14(8-2-11)23(26)27/h1-8H,9-10H2,(H,19,25)(H,21,24)(H2,20,22,28)