N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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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)[N+](=O)[O-])Br)C

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O3S/c1-9-3-4-11(7-10(9)2)15(21)19-16(24)18-14-6-5-12(20(22)23)8-13(14)17/h3-8H,1-2H3,(H2,18,19,21,24)