[3-bromanyl-4-(2-methylpropoxy)phenyl]methyl carbamimidothioate

Systemtic Name: [3-bromanyl-4-(2-methylpropoxy)phenyl]methyl carbamimidothioate Openeye Name: 2-[(3-bromo-4-isobutoxy-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid [3-bromo-4-(2-methylpropoxy)phenyl]methyl ester IUPAC Name: [3-bromo-4-(2-methylpropoxy)phenyl]methyl carbamimidothioate Traditional Name: 2-(3-bromo-4-isobutoxy-benzyl)isothiourea Formula: C12H17BrN2OS MolecularWeight: 317.24518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CSC(=N)N)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CSC(=N)N)Br

InChI

InChI=1S/C12H17BrN2OS/c1-8(2)6-16-11-4-3-9(5-10(11)13)7-17-12(14)15/h3-5,8H,6-7H2,1-2H3,(H3,14,15)