1-(1-adamantyl)-3-(2,6-diethylphenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(2,6-diethylphenyl)thiourea Openeye Name: 1-(1-adamantyl)-3-(2,6-diethylphenyl)thiourea CAS Name: 1-(1-adamantyl)-3-(2,6-diethylphenyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(2,6-diethylphenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(2,6-diethylphenyl)thiourea Formula: C21H30N2S MolecularWeight: 342.5413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2S/c1-3-17-6-5-7-18(4-2)19(17)22-20(24)23-21-11-14-8-15(12-21)10-16(9-14)13-21/h5-7,14-16H,3-4,8-13H2,1-2H3,(H2,22,23,24)