N-(2-bromanyl-3-methoxy-phenyl)-4-nitro-benzenecarbothioamide

Systemtic Name: N-(2-bromanyl-3-methoxy-phenyl)-4-nitro-benzenecarbothioamide Openeye Name: N-(2-bromo-3-methoxy-phenyl)-4-nitro-benzenecarbothioamide CAS Name: N-(2-bromo-3-methoxyphenyl)-4-nitrobenzenecarbothioamide IUPAC Name: N-(2-bromo-3-methoxyphenyl)-4-nitrobenzenecarbothioamide Traditional Name: N-(2-bromo-3-methoxy-phenyl)-4-nitro-thiobenzamide Formula: C14H11BrN2O3S MolecularWeight: 367.21774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1Br)NC(=S)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1Br)NC(=S)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN2O3S/c1-20-12-4-2-3-11(13(12)15)16-14(21)9-5-7-10(8-6-9)17(18)19/h2-8H,1H3,(H,16,21)