4-bromanyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-bromo-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-bromo-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrN3O4S/c1-2-24-12-7-8-13(14(9-12)20(22)23)18-16(25)19-15(21)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H2,18,19,21,25)