1-(1-adamantyl)-3-(2,4,6-triethylphenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(2,4,6-triethylphenyl)thiourea Openeye Name: 1-(1-adamantyl)-3-(2,4,6-triethylphenyl)thiourea CAS Name: 1-(1-adamantyl)-3-(2,4,6-triethylphenyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(2,4,6-triethylphenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(2,4,6-triethylphenyl)thiourea Formula: C23H34N2S MolecularWeight: 370.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)CC)NC(=S)NC23CC4CC(C2)CC(C4)C3)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1)CC)NC(=S)NC23CC4CC(C2)CC(C4)C3)CC

InChI

InChI=1S/C23H34N2S/c1-4-15-10-19(5-2)21(20(6-3)11-15)24-22(26)25-23-12-16-7-17(13-23)9-18(8-16)14-23/h10-11,16-18H,4-9,12-14H2,1-3H3,(H2,24,25,26)