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

Systemtic Name: 3-bromanyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C15H11BrClN3O3S MolecularWeight: 428.68814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrClN3O3S/c1-8-2-3-9(6-11(8)16)14(21)19-15(24)18-10-4-5-12(17)13(7-10)20(22)23/h2-7H,1H3,(H2,18,19,21,24)