3-bromanyl-4-hexoxy-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[[2-(2-isopropylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[[2-(2-isopropylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C25H32BrN3O4S MolecularWeight: 550.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)C)Br

InChI

InChI=1S/C25H32BrN3O4S/c1-4-5-6-9-14-32-22-13-12-18(15-20(22)26)24(31)27-25(34)29-28-23(30)16-33-21-11-8-7-10-19(21)17(2)3/h7-8,10-13,15,17H,4-6,9,14,16H2,1-3H3,(H,28,30)(H2,27,29,31,34)