3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-cyclooctyl-1-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C22H36N4S MolecularWeight: 388.61304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN(CC2=CN=CC=C2)C(=S)NC3CCCCCCC3

Isomeric SMILES

CCN1CCCC1CN(CC2=CN=CC=C2)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C22H36N4S/c1-2-25-15-9-13-21(25)18-26(17-19-10-8-14-23-16-19)22(27)24-20-11-6-4-3-5-7-12-20/h8,10,14,16,20-21H,2-7,9,11-13,15,17-18H2,1H3,(H,24,27)