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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[(4-allyloxybenzoyl)amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[[(4-prop-2-enoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[(4-allyloxybenzoyl)amino]thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC=C

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H21N3O4S/c1-3-14-28-18-11-7-16(8-12-18)20(26)23-24-21(29)22-19(25)13-6-15-4-9-17(27-2)10-5-15/h3-13H,1,14H2,2H3,(H,23,26)(H2,22,24,25,29)/b13-6+