5-bromanyl-2-(2-methoxyethoxy)-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C22H26BrN3O5S MolecularWeight: 524.42794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

InChI

InChI=1S/C22H26BrN3O5S/c1-14(2)13-31-17-7-4-15(5-8-17)20(27)25-26-22(32)24-21(28)18-12-16(23)6-9-19(18)30-11-10-29-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,27)(H2,24,26,28,32)