1-[1-(1-adamantyl)propyl]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)propyl]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)propyl]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[1-(1-adamantyl)propyl]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)propyl]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)propyl]-3-(3,5-dimethylphenyl)thiourea Formula: C22H32N2S MolecularWeight: 356.56788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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