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

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(4-methylbenzyl)thiourea Formula: C23H34N2S MolecularWeight: 370.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC=C(C=C4)C

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC=C(C=C4)C

InChI

InChI=1S/C23H34N2S/c1-3-4-21(23-12-18-9-19(13-23)11-20(10-18)14-23)25-22(26)24-15-17-7-5-16(2)6-8-17/h5-8,18-21H,3-4,9-15H2,1-2H3,(H2,24,25,26)