1-[1,3-benzothiazol-2-yl(sulfanyl)methyl]urea

Systemtic Name: 1-[1,3-benzothiazol-2-yl(sulfanyl)methyl]urea Openeye Name: [1,3-benzothiazol-2-yl(sulfanyl)methyl]urea CAS Name: [1,3-benzothiazol-2-yl(mercapto)methyl]urea IUPAC Name: [1,3-benzothiazol-2-yl(sulfanyl)methyl]urea Traditional Name: [1,3-benzothiazol-2-yl(mercapto)methyl]urea Formula: C9H9N3OS2 MolecularWeight: 239.31726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(NC(=O)N)S

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(NC(=O)N)S

InChI

InChI=1S/C9H9N3OS2/c10-9(13)12-7(14)8-11-5-3-1-2-4-6(5)15-8/h1-4,7,14H,(H3,10,12,13)