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

Systemtic Name: N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(4-bromo-2-iodo-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(4-bromo-2-iodoanilino)-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(4-bromo-2-iodo-phenyl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C15H11BrIN3O3S MolecularWeight: 520.13961

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrIN3O3S/c1-8-2-3-9(6-13(8)20(22)23)14(21)19-15(24)18-12-5-4-10(16)7-11(12)17/h2-7H,1H3,(H2,18,19,21,24)