1-(1-adamantyl)-3-[1-(4-methylsulfanylphenyl)-1,3-bis(oxidanyl)propan-2-yl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[1-(4-methylsulfanylphenyl)-1,3-bis(oxidanyl)propan-2-yl]thiourea Openeye Name: 1-(1-adamantyl)-3-[2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfanylphenyl)ethyl]thiourea CAS Name: 1-(1-adamantyl)-3-[1,3-dihydroxy-1-[4-(methylthio)phenyl]propan-2-yl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]thiourea Traditional Name: 1-(1-adamantyl)-3-[2-hydroxy-1-methylol-2-[4-(methylthio)phenyl]ethyl]thiourea Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C(CO)NC(=S)NC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C(CO)NC(=S)NC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H30N2O2S2/c1-27-17-4-2-16(3-5-17)19(25)18(12-24)22-20(26)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15,18-19,24-25H,6-12H2,1H3,(H2,22,23,26)