3-bromanyl-4-[(4-nitrophenyl)methoxy]benzenecarbothioamide

Systemtic Name: 3-bromanyl-4-[(4-nitrophenyl)methoxy]benzenecarbothioamide Openeye Name: 3-bromo-4-[(4-nitrophenyl)methoxy]benzenecarbothioamide CAS Name: 3-bromo-4-[(4-nitrophenyl)methoxy]benzenecarbothioamide IUPAC Name: 3-bromo-4-[(4-nitrophenyl)methoxy]benzenecarbothioamide Traditional Name: 3-bromo-4-(4-nitrobenzyl)oxy-thiobenzamide Formula: C14H11BrN2O3S MolecularWeight: 367.21774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)C(=S)N)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)C(=S)N)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN2O3S/c15-12-7-10(14(16)21)3-6-13(12)20-8-9-1-4-11(5-2-9)17(18)19/h1-7H,8H2,(H2,16,21)