1-(1-adamantyl)-3-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]thiourea CAS Name: 1-(1-adamantyl)-3-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]thiourea Traditional Name: 1-(1-adamantyl)-3-[2-[(2-methylolphenyl)thio]benzyl]thiourea Formula: C25H30N2OS2 MolecularWeight: 438.6485

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CC=CC=C4SC5=CC=CC=C5CO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CC=CC=C4SC5=CC=CC=C5CO

InChI

InChI=1S/C25H30N2OS2/c28-16-21-6-2-4-8-23(21)30-22-7-3-1-5-20(22)15-26-24(29)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19,28H,9-16H2,(H2,26,27,29)