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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN4O4S/c18-13-7-4-11(5-8-13)6-9-15(23)19-17(27)21-20-16(24)12-2-1-3-14(10-12)22(25)26/h1-10H,(H,20,24)(H2,19,21,23,27)/b9-6+