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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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