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

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-oxidanylcyclohexyl)urea Openeye Name: 1-(4-hydroxycyclohexyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-(4-hydroxycyclohexyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-(4-hydroxycyclohexyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-(4-hydroxycyclohexyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CC(CCC1NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C14H16N4O4S/c19-10-4-1-8(2-5-10)15-13(20)17-14-16-11-6-3-9(18(21)22)7-12(11)23-14/h3,6-8,10,19H,1-2,4-5H2,(H2,15,16,17,20)