1-(2-adamantyl)-3-(4-chloranyl-2,5-dimethoxy-phenyl)thiourea

Systemtic Name: 1-(2-adamantyl)-3-(4-chloranyl-2,5-dimethoxy-phenyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(4-chloro-2,5-dimethoxy-phenyl)thiourea CAS Name: 1-(2-adamantyl)-3-(4-chloro-2,5-dimethoxyphenyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(4-chloro-2,5-dimethoxyphenyl)thiourea Traditional Name: 1-(2-adamantyl)-3-(4-chloro-2,5-dimethoxy-phenyl)thiourea Formula: C19H25ClN2O2S MolecularWeight: 380.932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2C3CC4CC(C3)CC2C4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2C3CC4CC(C3)CC2C4)OC)Cl

InChI

InChI=1S/C19H25ClN2O2S/c1-23-16-9-15(17(24-2)8-14(16)20)21-19(25)22-18-12-4-10-3-11(6-12)7-13(18)5-10/h8-13,18H,3-7H2,1-2H3,(H2,21,22,25)