1-[1-(1-adamantyl)butyl]-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(3,4-dimethylphenyl)thiourea Formula: C23H34N2S MolecularWeight: 370.59446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2S/c1-4-5-21(23-12-17-9-18(13-23)11-19(10-17)14-23)25-22(26)24-20-7-6-15(2)16(3)8-20/h6-8,17-19,21H,4-5,9-14H2,1-3H3,(H2,24,25,26)