3-bromanyl-4-butoxy-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C19H19BrN4O5S MolecularWeight: 495.34696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C19H19BrN4O5S/c1-2-3-10-29-16-9-6-13(11-15(16)20)17(25)21-19(30)23-22-18(26)12-4-7-14(8-5-12)24(27)28/h4-9,11H,2-3,10H2,1H3,(H,22,26)(H2,21,23,25,30)