1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-methoxyphenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-methoxyphenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-methoxyphenyl)thiourea Formula: C21H26N4OS MolecularWeight: 382.52234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N4OS/c1-26-18-5-3-2-4-17(18)22-20(27)23-19-6-7-25(24-19)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-7,14-16H,8-13H2,1H3,(H2,22,23,24,27)