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

Systemtic Name: 1-[2-(1-adamantyl)ethanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C23H28N6O3S2 MolecularWeight: 500.63682

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C23H28N6O3S2/c30-20(14-23-11-15-8-16(12-23)10-17(9-15)13-23)27-28-22(33)26-18-2-4-19(5-3-18)34(31,32)29-21-24-6-1-7-25-21/h1-7,15-17H,8-14H2,(H,27,30)(H,24,25,29)(H2,26,28,33)