1-[2,3-bis(oxidanyl)propyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-[2,3-bis(oxidanyl)propyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Openeye Name: 1-(2,3-dihydroxypropyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-(2,3-dihydroxypropyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-(2,3-dihydroxypropyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-glyceryl-3-(6-nitro-1,3-benzothiazol-2-yl)urea Formula: C11H12N4O5S MolecularWeight: 312.30178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)NCC(CO)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)NCC(CO)O

InChI

InChI=1S/C11H12N4O5S/c16-5-7(17)4-12-10(18)14-11-13-8-2-1-6(15(19)20)3-9(8)21-11/h1-3,7,16-17H,4-5H2,(H2,12,13,14,18)