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

Systemtic Name: (E)-N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C20H20BrN3O3S/c1-13-3-5-15(6-4-13)7-10-18(25)22-20(28)24-23-19(26)12-27-16-8-9-17(21)14(2)11-16/h3-11H,12H2,1-2H3,(H,23,26)(H2,22,24,25,28)/b10-7+