1-[1,3-bis(oxidanyl)propan-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-[1,3-bis(oxidanyl)propan-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[2-hydroxy-1-(hydroxymethyl)ethyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-(1,3-dihydroxypropan-2-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(1,3-dihydroxypropan-2-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(2-hydroxy-1-methylol-ethyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C11H12N4O4S2 MolecularWeight: 328.36738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O4S2/c16-4-6(5-17)12-10(20)14-11-13-8-2-1-7(15(18)19)3-9(8)21-11/h1-3,6,16-17H,4-5H2,(H2,12,13,14,20)