2-bromanyl-N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-5-nitro-benzamide CAS Name: 2-bromo-N-[[4-[[(3-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[[4-[(3-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-5-nitro-benzamide Formula: C21H14BrClN4O4S MolecularWeight: 533.78226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H14BrClN4O4S/c22-18-9-8-16(27(30)31)11-17(18)20(29)26-21(32)25-15-6-4-14(5-7-15)24-19(28)12-2-1-3-13(23)10-12/h1-11H,(H,24,28)(H2,25,26,29,32)