1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-butylphenyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35N3O2S2/c1-2-3-4-19-5-7-23(8-6-19)28-26(33)29-24-9-11-25(12-10-24)34(31,32)30-27-16-20-13-21(17-27)15-22(14-20)18-27/h5-12,20-22,30H,2-4,13-18H2,1H3,(H2,28,29,33)