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

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(2-allyloxybenzoyl)amino]carbamothioyl]-5-bromo-2-isobutoxy-benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[[[oxo-(2-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(2-allyloxybenzoyl)amino]thiocarbamoyl]-5-bromo-2-isobutoxy-benzamide Formula: C22H24BrN3O4S MolecularWeight: 506.41266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C

InChI

InChI=1S/C22H24BrN3O4S/c1-4-11-29-18-8-6-5-7-16(18)21(28)25-26-22(31)24-20(27)17-12-15(23)9-10-19(17)30-13-14(2)3/h4-10,12,14H,1,11,13H2,2-3H3,(H,25,28)(H2,24,26,27,31)