1-(1-adamantyl)-3-(3-ethanoylphenyl)-1-methyl-thiourea

Systemtic Name: 1-(1-adamantyl)-3-(3-ethanoylphenyl)-1-methyl-thiourea Openeye Name: 3-(3-acetylphenyl)-1-(1-adamantyl)-1-methyl-thiourea CAS Name: 3-(3-acetylphenyl)-1-(1-adamantyl)-1-methylthiourea IUPAC Name: 3-(3-acetylphenyl)-1-(1-adamantyl)-1-methylthiourea Traditional Name: 3-(3-acetylphenyl)-1-(1-adamantyl)-1-methyl-thiourea Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2OS/c1-13(23)17-4-3-5-18(9-17)21-19(24)22(2)20-10-14-6-15(11-20)8-16(7-14)12-20/h3-5,9,14-16H,6-8,10-12H2,1-2H3,(H,21,24)