1-(2-adamantyl)-3-(2,4,5-trimethylphenyl)thiourea

Systemtic Name: 1-(2-adamantyl)-3-(2,4,5-trimethylphenyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(2,4,5-trimethylphenyl)thiourea CAS Name: 1-(2-adamantyl)-3-(2,4,5-trimethylphenyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(2,4,5-trimethylphenyl)thiourea Traditional Name: 1-(2-adamantyl)-3-(2,4,5-trimethylphenyl)thiourea Formula: C20H28N2S MolecularWeight: 328.51472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)NC2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)NC2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C20H28N2S/c1-11-4-13(3)18(5-12(11)2)21-20(23)22-19-16-7-14-6-15(9-16)10-17(19)8-14/h4-5,14-17,19H,6-10H2,1-3H3,(H2,21,22,23)