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

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-(2-methoxyethoxy)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-(2-methoxyethoxy)-N-[[(4-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)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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