1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea Formula: C24H23N5O5S MolecularWeight: 493.53492

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)NC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)NC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O5S/c30-21(26-22-25-19-6-5-18(29(33)34)8-20(19)35-22)27-24-11-14-7-15(12-24)10-23(9-14,13-24)16-1-3-17(4-2-16)28(31)32/h1-6,8,14-15H,7,9-13H2,(H2,25,26,27,30)