methyl 3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(4-fluorobenzyl)thiocarbamoylamino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H15FN4O5S MolecularWeight: 406.388203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN4O5S/c1-27-16(24)12-6-11(7-14(8-12)22(25)26)15(23)20-21-17(28)19-9-10-2-4-13(18)5-3-10/h2-8H,9H2,1H3,(H,20,23)(H2,19,21,28)