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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NN=CC4=CSC(=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c21-15(19-17-8-13-4-14(20(22)23)24-9-13)18-16-5-10-1-11(6-16)3-12(2-10)7-16/h4,8-12H,1-3,5-7H2,(H2,18,19,21)/b17-8+