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

Systemtic Name: 1-(1-adamantyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea CAS Name: 1-(1-adamantyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea Traditional Name: 1-(1-adamantyl)-3-veratryl-thiourea Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2S/c1-23-17-4-3-13(8-18(17)24-2)12-21-19(25)22-20-9-14-5-15(10-20)7-16(6-14)11-20/h3-4,8,14-16H,5-7,9-12H2,1-2H3,(H2,21,22,25)