1-[4-chloranyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-3-methyl-urea

Systemtic Name: 1-[4-chloranyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-3-methyl-urea Openeye Name: 1-(4-chloro-1,1-dioxo-1,2-benzothiazol-3-yl)-3-methyl-urea CAS Name: 1-(4-chloro-1,1-dioxo-1,2-benzothiazol-3-yl)-3-methylurea IUPAC Name: 1-(4-chloro-1,1-dioxo-1,2-benzothiazol-3-yl)-3-methylurea Traditional Name: 1-(4-chloro-1,1-diketo-1,2-benzothiazol-3-yl)-3-methyl-urea Formula: C9H8ClN3O3S MolecularWeight: 273.69612

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=NS(=O)(=O)C2=C1C(=CC=C2)Cl

Isomeric SMILES

CNC(=O)NC1=NS(=O)(=O)C2=C1C(=CC=C2)Cl

InChI

InChI=1S/C9H8ClN3O3S/c1-11-9(14)12-8-7-5(10)3-2-4-6(7)17(15,16)13-8/h2-4H,1H3,(H2,11,12,13,14)