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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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