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

Systemtic Name: 1-(1-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-(1-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(1-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)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC23CC4CC(C2)CC(C4)C3)OC

InChI

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