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

Systemtic Name: 1-(1-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-thiourea Openeye Name: 1-(1-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-thiourea CAS Name: 1-(1-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylthiourea IUPAC Name: 1-(1-adamantyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylthiourea Traditional Name: 1-(1-adamantyl)-3-homoveratryl-1-methyl-thiourea Formula: C22H32N2O2S MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCC1=CC(=C(C=C1)OC)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C(=S)NCCC1=CC(=C(C=C1)OC)OC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O2S/c1-24(22-12-16-8-17(13-22)10-18(9-16)14-22)21(27)23-7-6-15-4-5-19(25-2)20(11-15)26-3/h4-5,11,16-18H,6-10,12-14H2,1-3H3,(H,23,27)