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

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C16H12BrClN4O4S MolecularWeight: 471.71288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrClN4O4S/c1-8-2-3-9(6-11(8)17)15(24)20-21-16(27)19-14(23)10-4-5-12(18)13(7-10)22(25)26/h2-7H,1H3,(H,20,24)(H2,19,21,23,27)