1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea

Systemtic Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C25H31N3O3S2 MolecularWeight: 485.66194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O3S2/c1-16-3-8-23(31-2)22(9-16)27-24(32)26-20-4-6-21(7-5-20)33(29,30)28-25-13-17-10-18(14-25)12-19(11-17)15-25/h3-9,17-19,28H,10-15H2,1-2H3,(H2,26,27,32)