5-bromanyl-2-butoxy-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C25H32BrN3O4S MolecularWeight: 550.50828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrN3O4S/c1-3-5-7-8-16-32-20-12-9-18(10-13-20)23(30)28-29-25(34)27-24(31)21-17-19(26)11-14-22(21)33-15-6-4-2/h9-14,17H,3-8,15-16H2,1-2H3,(H,28,30)(H2,27,29,31,34)