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

Systemtic Name: (E)-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(4-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S/c1-28-15-6-8-16(9-7-15)29-12-18(25)21-22-19(30)20-17(24)10-5-13-3-2-4-14(11-13)23(26)27/h2-11H,12H2,1H3,(H,21,25)(H2,20,22,24,30)/b10-5+