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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-allyloxybenzoyl)amino]carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: 5-bromo-2-hexoxy-N-[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[[(4-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-allyloxybenzoyl)amino]thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C24H28BrN3O4S MolecularWeight: 534.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC=C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C24H28BrN3O4S/c1-3-5-6-7-15-32-21-13-10-18(25)16-20(21)23(30)26-24(33)28-27-22(29)17-8-11-19(12-9-17)31-14-4-2/h4,8-13,16H,2-3,5-7,14-15H2,1H3,(H,27,29)(H2,26,28,30,33)