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

Systemtic Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dimethylphenyl)thiourea Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S2/c1-16-3-4-17(2)23(9-16)27-24(31)26-21-5-7-22(8-6-21)32(29,30)28-25-13-18-10-19(14-25)12-20(11-18)15-25/h3-9,18-20,28H,10-15H2,1-2H3,(H2,26,27,31)