1-(1-adamantyl)-3-[2,6-diethyl-4-(2-methylpropyl)phenyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[2,6-diethyl-4-(2-methylpropyl)phenyl]thiourea Openeye Name: 1-(1-adamantyl)-3-(2,6-diethyl-4-isobutyl-phenyl)thiourea CAS Name: 1-(1-adamantyl)-3-[2,6-diethyl-4-(2-methylpropyl)phenyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[2,6-diethyl-4-(2-methylpropyl)phenyl]thiourea Traditional Name: 1-(1-adamantyl)-3-(2,6-diethyl-4-isobutyl-phenyl)thiourea Formula: C25H38N2S MolecularWeight: 398.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=S)NC23CC4CC(C2)CC(C4)C3)CC)CC(C)C

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=S)NC23CC4CC(C2)CC(C4)C3)CC)CC(C)C

InChI

InChI=1S/C25H38N2S/c1-5-21-11-17(7-16(3)4)12-22(6-2)23(21)26-24(28)27-25-13-18-8-19(14-25)10-20(9-18)15-25/h11-12,16,18-20H,5-10,13-15H2,1-4H3,(H2,26,27,28)