3-cyclooctyl-1-(pyridin-3-ylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 3-cyclooctyl-1-(pyridin-3-ylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 3-cyclooctyl-1-(3-pyridylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 3-cyclooctyl-1-(3-pyridinylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 3-cyclooctyl-1-(pyridin-3-ylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 3-cyclooctyl-1-(3-pyridylmethyl)-1-(3,4,5-trimethoxybenzyl)thiourea Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN(CC2=CN=CC=C2)C(=S)NC3CCCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN(CC2=CN=CC=C2)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C25H35N3O3S/c1-29-22-14-20(15-23(30-2)24(22)31-3)18-28(17-19-10-9-13-26-16-19)25(32)27-21-11-7-5-4-6-8-12-21/h9-10,13-16,21H,4-8,11-12,17-18H2,1-3H3,(H,27,32)