1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea Openeye Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea CAS Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea Traditional Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea Formula: C25H31N3O4S2 MolecularWeight: 501.66134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O4S2/c1-31-20-5-8-23(32-2)22(12-20)27-24(33)26-19-3-6-21(7-4-19)34(29,30)28-25-13-16-9-17(14-25)11-18(10-16)15-25/h3-8,12,16-18,28H,9-11,13-15H2,1-2H3,(H2,26,27,33)