1,3-benzothiazol-2-ylmethyl carbamimidothioate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl carbamimidothioate Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)isothiourea CAS Name: carbamimidothioic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl carbamimidothioate Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)isothiourea Formula: C9H9N3S2 MolecularWeight: 223.31786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CSC(=N)N

InChI

InChI=1S/C9H9N3S2/c10-9(11)13-5-8-12-6-3-1-2-4-7(6)14-8/h1-4H,5H2,(H3,10,11)