aminocarbonylcarbamic acid; 1,3-benzothiazole

Systemtic Name: aminocarbonylcarbamic acid; 1,3-benzothiazole Openeye Name: 1,3-benzothiazole; carbamoylcarbamic acid CAS Name: 1,3-benzothiazole; carbamoylcarbamic acid IUPAC Name: 1,3-benzothiazole; carbamoylcarbamic acid Traditional Name: allophanic acid; 1,3-benzothiazole Formula: C9H9N3O3S MolecularWeight: 239.25106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CS2.C(=O)(N)NC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CS2.C(=O)(N)NC(=O)O

InChI

InChI=1S/C7H5NS.C2H4N2O3/c1-2-4-7-6(3-1)8-5-9-7;3-1(5)4-2(6)7/h1-5H;(H,6,7)(H3,3,4,5)