1-(2-adamantyl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(2-adamantyl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(2-adamantyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(2-adamantyl)-3-(4-nitrophenyl)thiourea Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O2S/c21-20(22)15-3-1-14(2-4-15)18-17(23)19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H2,18,19,23)