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

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

Systemtic Name:1-(1-adamantyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea
Openeye Name:1-(1-adamantyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea
CAS Name:1-(1-adamantyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea
IUPAC Name:1-(1-adamantyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea
Traditional Name:1-(1-adamantyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea
Formula: C18H20N4O3S
MolecularWeight: 372.4414
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]


InChI

InChI=1S/C18H20N4O3S/c23-16(21-18-7-10-3-11(8-18)5-12(4-10)9-18)20-17-19-14-2-1-13(22(24)25)6-15(14)26-17/h1-2,6,10-12H,3-5,7-9H2,(H2,19,20,21,23)


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