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

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-oxidanylcyclohexyl)thiourea Openeye Name: 1-(4-hydroxycyclohexyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-(4-hydroxycyclohexyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(4-hydroxycyclohexyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(4-hydroxycyclohexyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S2/c19-10-4-1-8(2-5-10)15-13(22)17-14-16-11-6-3-9(18(20)21)7-12(11)23-14/h3,6-8,10,19H,1-2,4-5H2,(H2,15,16,17,22)