1-[(4-tert-butylphenyl)methyl]-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-cyclooctyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-cyclooctyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-cyclooctyl-1-(3-pyridylmethyl)thiourea Formula: C26H37N3S MolecularWeight: 423.65708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3S/c1-26(2,3)23-15-13-21(14-16-23)19-29(20-22-10-9-17-27-18-22)25(30)28-24-11-7-5-4-6-8-12-24/h9-10,13-18,24H,4-8,11-12,19-20H2,1-3H3,(H,28,30)