(5-methyl-1,3-benzoxazol-2-yl)methyl carbamimidothioate

Systemtic Name: (5-methyl-1,3-benzoxazol-2-yl)methyl carbamimidothioate Openeye Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (5-methyl-1,3-benzoxazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3-benzoxazol-2-yl)methyl carbamimidothioate Traditional Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]isothiourea Formula: C10H11N3OS MolecularWeight: 221.27884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)CSC(=N)N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)CSC(=N)N

InChI

InChI=1S/C10H11N3OS/c1-6-2-3-8-7(4-6)13-9(14-8)5-15-10(11)12/h2-4H,5H2,1H3,(H3,11,12)