(6-bromanyl-1,3-benzodioxol-5-yl)methyl carbamimidothioate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl carbamimidothioate Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl carbamimidothioate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]isothiourea Formula: C9H9BrN2O2S MolecularWeight: 289.14896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC(=N)N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC(=N)N)Br

InChI

InChI=1S/C9H9BrN2O2S/c10-6-2-8-7(13-4-14-8)1-5(6)3-15-9(11)12/h1-2H,3-4H2,(H3,11,12)