(E)-3-(4-ethoxyphenyl)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C19H18N4O5S MolecularWeight: 414.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-2-28-14-10-7-13(8-11-14)9-12-17(24)20-19(29)22-21-18(25)15-5-3-4-6-16(15)23(26)27/h3-12H,2H2,1H3,(H,21,25)(H2,20,22,24,29)/b12-9+