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

Systemtic Name: (E)-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C18H15BrFN3O2S MolecularWeight: 436.298003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)F)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F)Br

InChI

InChI=1S/C18H15BrFN3O2S/c1-11-2-6-13(10-15(11)19)17(25)22-23-18(26)21-16(24)9-5-12-3-7-14(20)8-4-12/h2-10H,1H3,(H,22,25)(H2,21,23,24,26)/b9-5+