1-[4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]thiourea

Systemtic Name: 1-[4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]thiourea Openeye Name: [4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]thiourea CAS Name: [4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]thiourea IUPAC Name: [4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]thiourea Traditional Name: [4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]thiourea Formula: C21H32N2S MolecularWeight: 344.55718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)NC(=S)N

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)NC(=S)N

InChI

InChI=1S/C21H32N2S/c1-2-3-4-5-10-20-11-14-21(15-12-20,16-13-20)17-6-8-18(9-7-17)23-19(22)24/h6-9H,2-5,10-16H2,1H3,(H3,22,23,24)