1-(2-adamantyl)-3-(4-butyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-(2-adamantyl)-3-(4-butyl-2-methyl-phenyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(4-butyl-2-methyl-phenyl)thiourea CAS Name: 1-(2-adamantyl)-3-(4-butyl-2-methylphenyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(4-butyl-2-methylphenyl)thiourea Traditional Name: 1-(2-adamantyl)-3-(4-butyl-2-methyl-phenyl)thiourea Formula: C22H32N2S MolecularWeight: 356.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NC2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NC2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C22H32N2S/c1-3-4-5-15-6-7-20(14(2)8-15)23-22(25)24-21-18-10-16-9-17(12-18)13-19(21)11-16/h6-8,16-19,21H,3-5,9-13H2,1-2H3,(H2,23,24,25)