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

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-methylbenzyl)thiourea Formula: C22H28N4S MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4S/c1-15-2-4-16(5-3-15)14-23-21(27)24-20-6-7-26(25-20)22-11-17-8-18(12-22)10-19(9-17)13-22/h2-7,17-19H,8-14H2,1H3,(H2,23,24,25,27)