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

Systemtic Name: (E)-N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-phenyl-acrylamide Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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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=CC=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3S/c1-25-15-9-8-13(11-14(15)19)17(24)21-22-18(26)20-16(23)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,21,24)(H2,20,22,23,26)/b10-7+