1-[1-(1-adamantyl)butyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-homoveratryl-thiourea Formula: C25H38N2O2S MolecularWeight: 430.64642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H38N2O2S/c1-4-5-23(25-14-18-10-19(15-25)12-20(11-18)16-25)27-24(30)26-9-8-17-6-7-21(28-2)22(13-17)29-3/h6-7,13,18-20,23H,4-5,8-12,14-16H2,1-3H3,(H2,26,27,30)