3-bromanyl-4-hexoxy-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C25H32BrN3O4S MolecularWeight: 550.50828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrN3O4S/c1-4-5-6-7-14-32-22-13-10-19(15-21(22)26)23(30)27-25(34)29-28-24(31)18-8-11-20(12-9-18)33-16-17(2)3/h8-13,15,17H,4-7,14,16H2,1-3H3,(H,28,31)(H2,27,29,30,34)