3-cyclooctyl-1-[(3-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-cyclooctyl-1-[(3-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-cyclooctyl-1-[(3-methoxyphenyl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-cyclooctyl-1-[(3-methoxyphenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-cyclooctyl-1-[(3-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-m-anisyl-1-(3-pyridylmethyl)thiourea Formula: C23H31N3OS MolecularWeight: 397.57674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2=CN=CC=C2)C(=S)NC3CCCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2=CN=CC=C2)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C23H31N3OS/c1-27-22-13-7-9-19(15-22)17-26(18-20-10-8-14-24-16-20)23(28)25-21-11-5-3-2-4-6-12-21/h7-10,13-16,21H,2-6,11-12,17-18H2,1H3,(H,25,28)