1-(1-adamantyl)-3-[(5-nitrofuran-2-yl)carbonylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(5-nitrofuran-2-yl)carbonylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(5-nitrofuran-2-carbonyl)amino]thiourea CAS Name: 1-(1-adamantyl)-3-[[(5-nitro-2-furanyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(5-nitrofuran-2-carbonyl)amino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(5-nitro-2-furoyl)amino]thiourea Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S/c21-14(12-1-2-13(24-12)20(22)23)18-19-15(25)17-16-6-9-3-10(7-16)5-11(4-9)8-16/h1-2,9-11H,3-8H2,(H,18,21)(H2,17,19,25)