5-bromanyl-2-(3-methylbutoxy)-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C25H32BrN3O4S MolecularWeight: 550.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C25H32BrN3O4S/c1-16(2)11-13-32-20-8-5-18(6-9-20)23(30)28-29-25(34)27-24(31)21-15-19(26)7-10-22(21)33-14-12-17(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,28,30)(H2,27,29,31,34)