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

Systemtic Name: (E)-N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(2-thienyl)acrylamide Formula: C17H16BrN3O3S2 MolecularWeight: 454.36124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C17H16BrN3O3S2/c1-11-9-12(18)4-6-14(11)24-10-16(23)20-21-17(25)19-15(22)7-5-13-3-2-8-26-13/h2-9H,10H2,1H3,(H,20,23)(H2,19,21,22,25)/b7-5+