(E)-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-naphthalen-1-yl-prop-2-enamide

Systemtic Name: (E)-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-naphthalen-1-yl-prop-2-enamide Openeye Name: (E)-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-3-(1-naphthyl)prop-2-enamide CAS Name: (E)-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(1-naphthalenyl)-2-propenamide IUPAC Name: (E)-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide Traditional Name: (E)-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-(1-naphthyl)acrylamide Formula: C22H18IN3O3S MolecularWeight: 531.36609

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC3=CC=CC=C32)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32)I

InChI

InChI=1S/C22H18IN3O3S/c1-29-19-11-9-16(13-18(19)23)21(28)25-26-22(30)24-20(27)12-10-15-7-4-6-14-5-2-3-8-17(14)15/h2-13H,1H3,(H,25,28)(H2,24,26,27,30)/b12-10+