N-[2-fluoranyl-1-[(3-nitrophenyl)carbamothioylamino]ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-fluoranyl-1-[(3-nitrophenyl)carbamothioylamino]ethyl]-4-methyl-benzamide Openeye Name: N-[2-fluoro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]-4-methyl-benzamide CAS Name: N-[2-fluoro-1-[[(3-nitroanilino)-sulfanylidenemethyl]amino]ethyl]-4-methylbenzamide IUPAC Name: N-[2-fluoro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]-4-methylbenzamide Traditional Name: N-[2-fluoro-1-[(3-nitrophenyl)thiocarbamoylamino]ethyl]-4-methyl-benzamide Formula: C17H17FN4O3S MolecularWeight: 376.405283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CF)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CF)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN4O3S/c1-11-5-7-12(8-6-11)16(23)20-15(10-18)21-17(26)19-13-3-2-4-14(9-13)22(24)25/h2-9,15H,10H2,1H3,(H,20,23)(H2,19,21,26)