5-bromanyl-2-(2-methylpropoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C19H19BrN4O5S MolecularWeight: 495.34696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN4O5S/c1-11(2)10-29-16-7-6-13(20)9-15(16)18(26)21-19(30)23-22-17(25)12-4-3-5-14(8-12)24(27)28/h3-9,11H,10H2,1-2H3,(H,22,25)(H2,21,23,26,30)