1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-oxidanylbutyl)urea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-oxidanylbutyl)urea Openeye Name: 1-(4-hydroxybutyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-(4-hydroxybutyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-(4-hydroxybutyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-(4-hydroxybutyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4S/c17-6-2-1-5-13-11(18)15-12-14-9-4-3-8(16(19)20)7-10(9)21-12/h3-4,7,17H,1-2,5-6H2,(H2,13,14,15,18)