S-methyl N-(6-isocyano-1,3-benzothiazol-2-yl)carbamothioate

Systemtic Name: S-methyl N-(6-isocyano-1,3-benzothiazol-2-yl)carbamothioate Openeye Name: S-methyl N-(6-isocyano-1,3-benzothiazol-2-yl)carbamothioate CAS Name: N-(6-isocyano-1,3-benzothiazol-2-yl)carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-(6-isocyano-1,3-benzothiazol-2-yl)carbamothioate Traditional Name: N-(6-isocyano-1,3-benzothiazol-2-yl)thiocarbamic acid S-methyl ester Formula: C10H7N3OS2 MolecularWeight: 249.31208

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+]#[C-]

Isomeric SMILES

CSC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+]#[C-]

InChI

InChI=1S/C10H7N3OS2/c1-11-6-3-4-7-8(5-6)16-9(12-7)13-10(14)15-2/h3-5H,2H3,(H,12,13,14)