5-bromanyl-2-hexoxy-N-[(2-phenylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-hexoxy-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H26BrN3O3S/c1-2-3-4-8-13-29-19-12-11-17(23)15-18(19)21(28)24-22(30)26-25-20(27)14-16-9-6-5-7-10-16/h5-7,9-12,15H,2-4,8,13-14H2,1H3,(H,25,27)(H2,24,26,28,30)