(E)-N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C18H15BrN4O5S MolecularWeight: 479.3045

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H15BrN4O5S/c19-13-5-7-15(8-6-13)28-11-17(25)21-22-18(29)20-16(24)9-4-12-2-1-3-14(10-12)23(26)27/h1-10H,11H2,(H,21,25)(H2,20,22,24,29)/b9-4+