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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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