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

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-4-28-18-10-7-15(22)11-17(18)20(27)23-21(30)25-24-19(26)14-5-8-16(9-6-14)29-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,24,26)(H2,23,25,27,30)