5-bromanyl-2-ethoxy-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-allyloxybenzoyl)amino]carbamothioyl]-5-bromo-2-ethoxy-benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[(4-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-allyloxybenzoyl)amino]thiocarbamoyl]-5-bromo-2-ethoxy-benzamide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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