(E)-3-(4-fluorophenyl)-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]acrylamide Formula: C18H15FIN3O3S MolecularWeight: 499.297873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)F)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F)I

InChI

InChI=1S/C18H15FIN3O3S/c1-26-15-8-5-12(10-14(15)20)17(25)22-23-18(27)21-16(24)9-4-11-2-6-13(19)7-3-11/h2-10H,1H3,(H,22,25)(H2,21,23,24,27)/b9-4+