3-cyclooctyl-1-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-cyclooctyl-1-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-benzyl-3-cyclooctyl-1-(4-pyridylmethyl)thiourea CAS Name: 3-cyclooctyl-1-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-benzyl-3-cyclooctyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-benzyl-3-cyclooctyl-1-(4-pyridylmethyl)thiourea Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=NC=C3

InChI

InChI=1S/C22H29N3S/c26-22(24-21-11-7-2-1-3-8-12-21)25(17-19-9-5-4-6-10-19)18-20-13-15-23-16-14-20/h4-6,9-10,13-16,21H,1-3,7-8,11-12,17-18H2,(H,24,26)