N-[(2S)-1-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-[2-[(4-fluorophenyl)carbamothioyl]hydrazino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazo]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-[N'-[(4-fluorophenyl)thiocarbamoyl]hydrazino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C17H16FN5O4S MolecularWeight: 405.403443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC=C(C=C1)F)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NC1=CC=C(C=C1)F)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN5O4S/c1-10(19-16(25)11-3-2-4-14(9-11)23(26)27)15(24)21-22-17(28)20-13-7-5-12(18)6-8-13/h2-10H,1H3,(H,19,25)(H,21,24)(H2,20,22,28)/t10-/m0/s1