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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=CC(=C(C=C1)OC)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C(=S)NC1=CC(=C(C=C1)OC)OC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N2O2S/c1-22(20-10-13-6-14(11-20)8-15(7-13)12-20)19(25)21-16-4-5-17(23-2)18(9-16)24-3/h4-5,9,13-15H,6-8,10-12H2,1-3H3,(H,21,25)