1-[1-(1-adamantyl)ethyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-(1-adamantyl)ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)ethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)ethyl]-3-(4-nitrophenyl)thiourea Formula: C19H25N3O2S MolecularWeight: 359.4857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O2S/c1-12(19-9-13-6-14(10-19)8-15(7-13)11-19)20-18(25)21-16-2-4-17(5-3-16)22(23)24/h2-5,12-15H,6-11H2,1H3,(H2,20,21,25)