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

Systemtic Name: (E)-N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C18H15BrFN3O3S MolecularWeight: 452.297403

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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=C(C=C2)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrFN3O3S/c1-26-15-8-5-12(10-14(15)19)17(25)22-23-18(27)21-16(24)9-4-11-2-6-13(20)7-3-11/h2-10H,1H3,(H,22,25)(H2,21,23,24,27)/b9-4+