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

Systemtic Name: (E)-N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-phenyl-acrylamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O3S/c1-13-7-9-16(15(20)11-13)26-12-18(25)22-23-19(27)21-17(24)10-8-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,25)(H2,21,23,24,27)/b10-8+