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

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-(2-methoxyethoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-(2-methoxyethoxy)-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C18H17BrN4O6S MolecularWeight: 497.31978

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN4O6S/c1-28-7-8-29-15-6-5-12(19)10-14(15)17(25)20-18(30)22-21-16(24)11-3-2-4-13(9-11)23(26)27/h2-6,9-10H,7-8H2,1H3,(H,21,24)(H2,20,22,25,30)