(E)-3-(4-methylphenyl)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-13-2-4-14(5-3-13)6-11-17(24)20-19(29)22-21-18(25)12-28-16-9-7-15(8-10-16)23(26)27/h2-11H,12H2,1H3,(H,21,25)(H2,20,22,24,29)/b11-6+