1-[1-(1-adamantyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 1-[1-(1-adamantyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-[1-(1-adamantyl)ethyl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[1-(1-adamantyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-[1-(1-adamantyl)ethyl]-3-(4-methylbenzyl)thiourea Formula: C21H30N2S MolecularWeight: 342.5413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2S/c1-14-3-5-16(6-4-14)13-22-20(24)23-15(2)21-10-17-7-18(11-21)9-19(8-17)12-21/h3-6,15,17-19H,7-13H2,1-2H3,(H2,22,23,24)