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

Systemtic Name: 1-(2-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-(2-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-(2-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(2-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(2-adamantyl)-3-homoveratryl-thiourea Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2C3CC4CC(C3)CC2C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2C3CC4CC(C3)CC2C4)OC

InChI

InChI=1S/C21H30N2O2S/c1-24-18-4-3-13(12-19(18)25-2)5-6-22-21(26)23-20-16-8-14-7-15(10-16)11-17(20)9-14/h3-4,12,14-17,20H,5-11H2,1-2H3,(H2,22,23,26)