5-bromanyl-N-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(2-chloro-5-nitro-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(2-chloro-5-nitrophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C16H13BrClN3O4S MolecularWeight: 458.71412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClN3O4S/c1-8-5-9(17)6-11(14(8)25-2)15(22)20-16(26)19-13-7-10(21(23)24)3-4-12(13)18/h3-7H,1-2H3,(H2,19,20,22,26)