(E)-3-(4-fluorophenyl)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]acrylamide Formula: C17H13FN4O4S MolecularWeight: 388.372923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN4O4S/c18-13-6-1-11(2-7-13)3-10-15(23)19-17(27)21-20-16(24)12-4-8-14(9-5-12)22(25)26/h1-10H,(H,20,24)(H2,19,21,23,27)/b10-3+