(E)-N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-3-(2-methoxyphenyl)acrylamide Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C20H20N4O4S/c1-13(25)21-16-10-7-15(8-11-16)19(27)23-24-20(29)22-18(26)12-9-14-5-3-4-6-17(14)28-2/h3-12H,1-2H3,(H,21,25)(H,23,27)(H2,22,24,26,29)/b12-9+