(E)-N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide Openeye Name: (E)-N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-(5-methyl-2-furyl)prop-2-enamide CAS Name: (E)-N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(5-methyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(5-methyl-2-furyl)acrylamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C18H18BrN3O4S/c1-11-9-13(19)4-7-15(11)25-10-17(24)21-22-18(27)20-16(23)8-6-14-5-3-12(2)26-14/h3-9H,10H2,1-2H3,(H,21,24)(H2,20,22,23,27)/b8-6+