3-bromanyl-4-tert-butyl-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C19H19BrN4O4S MolecularWeight: 479.34756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O4S/c1-19(2,3)13-9-8-11(10-14(13)20)16(25)21-18(29)23-22-17(26)12-6-4-5-7-15(12)24(27)28/h4-10H,1-3H3,(H,22,26)(H2,21,23,25,29)