1-(2-adamantylideneamino)-3-(2-nitrophenyl)thiourea

Systemtic Name: 1-(2-adamantylideneamino)-3-(2-nitrophenyl)thiourea Openeye Name: 1-(2-adamantylideneamino)-3-(2-nitrophenyl)thiourea CAS Name: 1-(2-adamantylideneamino)-3-(2-nitrophenyl)thiourea IUPAC Name: 1-(2-adamantylideneamino)-3-(2-nitrophenyl)thiourea Traditional Name: 1-(2-adamantylideneamino)-3-(2-nitrophenyl)thiourea Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=NNC(=S)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=NNC(=S)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2S/c22-21(23)15-4-2-1-3-14(15)18-17(24)20-19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13H,5-9H2,(H2,18,20,24)