1-[2-(1-adamantyl)ethyl]-3-(3-pyridin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-3-(3-pyridin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(4-pyridyl)propyl]-1-(2-thienylmethyl)urea CAS Name: 1-[2-(1-adamantyl)ethyl]-3-(3-pyridin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-3-(3-pyridin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea Traditional Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(4-pyridyl)propyl]-1-(2-thenyl)urea Formula: C26H35N3OS MolecularWeight: 437.6406

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCN(CC4=CC=CS4)C(=O)NCCCC5=CC=NC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCN(CC4=CC=CS4)C(=O)NCCCC5=CC=NC=C5

InChI

InChI=1S/C26H35N3OS/c30-25(28-8-1-3-20-5-9-27-10-6-20)29(19-24-4-2-12-31-24)11-7-26-16-21-13-22(17-26)15-23(14-21)18-26/h2,4-6,9-10,12,21-23H,1,3,7-8,11,13-19H2,(H,28,30)