1-[1-(1-adamantyl)butyl]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(4-methylphenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(p-tolyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(p-tolyl)thiourea Formula: C22H32N2S MolecularWeight: 356.56788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2S/c1-3-4-20(24-21(25)23-19-7-5-15(2)6-8-19)22-12-16-9-17(13-22)11-18(10-16)14-22/h5-8,16-18,20H,3-4,9-14H2,1-2H3,(H2,23,24,25)