1-[1-(1-adamantyl)ethyl]-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)ethyl]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[1-(1-adamantyl)ethyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[1-(1-adamantyl)ethyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[1-(1-adamantyl)ethyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[1-(1-adamantyl)ethyl]thiourea Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2OS/c1-13(24)18-3-5-19(6-4-18)23-20(25)22-14(2)21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-12H2,1-2H3,(H2,22,23,25)