3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]benzenecarbothioamide

Systemtic Name: 3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]benzenecarbothioamide Openeye Name: 3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]benzenecarbothioamide CAS Name: 3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]benzenecarbothioamide IUPAC Name: 3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]benzenecarbothioamide Traditional Name: 3-bromo-5-methoxy-4-(4-nitrobenzyl)oxy-thiobenzamide Formula: C15H13BrN2O4S MolecularWeight: 397.24372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13BrN2O4S/c1-21-13-7-10(15(17)23)6-12(16)14(13)22-8-9-2-4-11(5-3-9)18(19)20/h2-7H,8H2,1H3,(H2,17,23)