1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-butan-2-ylphenyl)thiourea

Systemtic Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-butan-2-ylphenyl)thiourea Openeye Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-butan-2-ylphenyl)thiourea IUPAC Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-butan-2-ylphenyl)thiourea Traditional Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C27H35N3O2S2 MolecularWeight: 497.7157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O2S2/c1-3-18(2)22-4-6-23(7-5-22)28-26(33)29-24-8-10-25(11-9-24)34(31,32)30-27-15-19-12-20(16-27)14-21(13-19)17-27/h4-11,18-21,30H,3,12-17H2,1-2H3,(H2,28,29,33)