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

Systemtic Name: 1-[(1S)-1-(1-adamantyl)butyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(1S)-1-(1-adamantyl)butyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[(1S)-1-(1-adamantyl)butyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(1S)-1-(1-adamantyl)butyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[(1S)-1-(1-adamantyl)butyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C25H33N5O2S2 MolecularWeight: 499.69182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C25H33N5O2S2/c1-2-4-22(25-14-17-11-18(15-25)13-19(12-17)16-25)29-24(33)28-20-5-7-21(8-6-20)34(31,32)30-23-26-9-3-10-27-23/h3,5-10,17-19,22H,2,4,11-16H2,1H3,(H,26,27,30)(H2,28,29,33)/t17?,18?,19?,22-,25?/m0/s1