5-bromanyl-2-ethoxy-N-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(2-allyloxybenzoyl)amino]carbamothioyl]-5-bromo-2-ethoxy-benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[oxo-(2-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(2-allyloxybenzoyl)amino]thiocarbamoyl]-5-bromo-2-ethoxy-benzamide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C

InChI

InChI=1S/C20H20BrN3O4S/c1-3-11-28-16-8-6-5-7-14(16)19(26)23-24-20(29)22-18(25)15-12-13(21)9-10-17(15)27-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,23,26)(H2,22,24,25,29)