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

Systemtic Name: (E)-N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C21H22BrN3O4S/c1-3-28-16-7-4-15(5-8-16)6-11-19(26)23-21(30)25-24-20(27)13-29-17-9-10-18(22)14(2)12-17/h4-12H,3,13H2,1-2H3,(H,24,27)(H2,23,25,26,30)/b11-6+