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

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(3-bromo-4-methoxy-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(3-bromo-4-methoxyanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(3-bromo-4-methoxy-phenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C16H14BrN3O5S MolecularWeight: 440.26846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrN3O5S/c1-24-13-6-4-10(8-11(13)17)18-16(26)19-15(21)9-3-5-14(25-2)12(7-9)20(22)23/h3-8H,1-2H3,(H2,18,19,21,26)