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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[(3-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(=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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