1-(1-adamantyl)-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(1-adamantyl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-(1-adamantyl)-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(4-phenoxyphenyl)thiourea Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C23H26N2OS/c27-22(25-23-13-16-10-17(14-23)12-18(11-16)15-23)24-19-6-8-21(9-7-19)26-20-4-2-1-3-5-20/h1-9,16-18H,10-15H2,(H2,24,25,27)