1-(1-adamantyl)-3-(3-methoxyphenyl)-1-methyl-thiourea

Systemtic Name: 1-(1-adamantyl)-3-(3-methoxyphenyl)-1-methyl-thiourea Openeye Name: 1-(1-adamantyl)-3-(3-methoxyphenyl)-1-methyl-thiourea CAS Name: 1-(1-adamantyl)-3-(3-methoxyphenyl)-1-methylthiourea IUPAC Name: 1-(1-adamantyl)-3-(3-methoxyphenyl)-1-methylthiourea Traditional Name: 1-(1-adamantyl)-3-(3-methoxyphenyl)-1-methyl-thiourea Formula: C19H26N2OS MolecularWeight: 330.48754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2OS/c1-21(18(23)20-16-4-3-5-17(9-16)22-2)19-10-13-6-14(11-19)8-15(7-13)12-19/h3-5,9,13-15H,6-8,10-12H2,1-2H3,(H,20,23)