1-(2-adamantyl)-3-(4-butan-2-ylphenyl)thiourea

Systemtic Name: 1-(2-adamantyl)-3-(4-butan-2-ylphenyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(2-adamantyl)-3-(4-butan-2-ylphenyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(4-butan-2-ylphenyl)thiourea Traditional Name: 1-(2-adamantyl)-3-(4-sec-butylphenyl)thiourea Formula: C21H30N2S MolecularWeight: 342.5413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2S/c1-3-13(2)16-4-6-19(7-5-16)22-21(24)23-20-17-9-14-8-15(11-17)12-18(20)10-14/h4-7,13-15,17-18,20H,3,8-12H2,1-2H3,(H2,22,23,24)