1-[1-(1-adamantyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[1-(1-adamantyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[1-(1-adamantyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[1-(1-adamantyl)ethyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[1-(1-adamantyl)ethyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C23H29N5O2S2 MolecularWeight: 471.63866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C23H29N5O2S2/c1-15(23-12-16-9-17(13-23)11-18(10-16)14-23)26-22(31)27-19-3-5-20(6-4-19)32(29,30)28-21-24-7-2-8-25-21/h2-8,15-18H,9-14H2,1H3,(H,24,25,28)(H2,26,27,31)