3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-pyridylmethyl)thiourea CAS Name: 3-cyclooctyl-1-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-pyridylmethyl)thiourea Formula: C22H36N4S MolecularWeight: 388.61304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4S/c1-2-25-16-8-11-21(25)18-26(17-19-12-14-23-15-13-19)22(27)24-20-9-6-4-3-5-7-10-20/h12-15,20-21H,2-11,16-18H2,1H3,(H,24,27)