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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(2-allyloxybenzoyl)amino]carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[oxo-(2-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(2-allyloxybenzoyl)amino]thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C24H28BrN3O4S MolecularWeight: 534.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C)Br

InChI

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