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

Systemtic Name: 3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]benzenecarbothioamide Openeye Name: 3-bromo-5-methoxy-4-(p-tolylmethoxy)benzenecarbothioamide CAS Name: 3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]benzenecarbothioamide IUPAC Name: 3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]benzenecarbothioamide Traditional Name: 3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-thiobenzamide Formula: C16H16BrNO2S MolecularWeight: 366.27274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C(=S)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C(=S)N)OC

InChI

InChI=1S/C16H16BrNO2S/c1-10-3-5-11(6-4-10)9-20-15-13(17)7-12(16(18)21)8-14(15)19-2/h3-8H,9H2,1-2H3,(H2,18,21)