1-[[2-(3-chloranylpropyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea

Systemtic Name: 1-[[2-(3-chloranylpropyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Openeye Name: 1-[[2-(3-chloropropyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea CAS Name: 1-[[2-(3-chloropropyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]-3-(4,6-dimethoxy-2-pyrimidinyl)urea IUPAC Name: 1-[[2-(3-chloropropyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Traditional Name: 1-[[2-(3-chloropropyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Formula: C17H20ClN5O5S2 MolecularWeight: 473.9542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2SN(C3)CCCCl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2SN(C3)CCCCl)OC

InChI

InChI=1S/C17H20ClN5O5S2/c1-27-13-9-14(28-2)20-16(19-13)21-17(24)22-30(25,26)12-6-3-5-11-10-23(8-4-7-18)29-15(11)12/h3,5-6,9H,4,7-8,10H2,1-2H3,(H2,19,20,21,22,24)