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

Systemtic Name: 1-(1-adamantyl)-1-methyl-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-(1-adamantyl)-1-methyl-3-(p-tolylmethyl)thiourea CAS Name: 1-(1-adamantyl)-1-methyl-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-(1-adamantyl)-1-methyl-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-(1-adamantyl)-1-methyl-3-(4-methylbenzyl)thiourea Formula: C20H28N2S MolecularWeight: 328.51472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2S/c1-14-3-5-15(6-4-14)13-21-19(23)22(2)20-10-16-7-17(11-20)9-18(8-16)12-20/h3-6,16-18H,7-13H2,1-2H3,(H,21,23)