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

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(3-bromo-4-methoxy-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(3-bromo-4-methoxyanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(3-bromo-4-methoxy-phenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Br

InChI

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