5-bromanyl-2-chloranyl-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C15H11BrClN3O4S MolecularWeight: 444.68754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11BrClN3O4S/c1-24-13-5-3-9(7-12(13)20(22)23)18-15(25)19-14(21)10-6-8(16)2-4-11(10)17/h2-7H,1H3,(H2,18,19,21,25)