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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea CAS Name: 1-(1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)NC(=O)NC4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)NC(=O)NC4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O3S/c29-21(26-22-25-19-3-1-2-4-20(19)32-22)27-24-12-15-9-16(13-24)11-23(10-15,14-24)17-5-7-18(8-6-17)28(30)31/h1-8,15-16H,9-14H2,(H2,25,26,27,29)