1-(1-adamantyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]urea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]urea Openeye Name: 1-(1-adamantyl)-3-[(E)-(5-nitro-2-thienyl)methyleneamino]urea CAS Name: 1-(1-adamantyl)-3-[(E)-(5-nitro-2-thiophenyl)methylideneamino]urea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]urea Traditional Name: 1-(1-adamantyl)-3-[(E)-(5-nitro-2-thienyl)methyleneamino]urea Formula: C16H20N4O3S MolecularWeight: 348.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NN=CC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)N/N=C/C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3S/c21-15(19-17-9-13-1-2-14(24-13)20(22)23)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H2,18,19,21)/b17-9+