3-(1-adamantyl)-1,1-bis(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-(1-adamantyl)-1,1-bis(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(1-adamantyl)-1,1-bis(2-pyridylmethyl)thiourea CAS Name: 3-(1-adamantyl)-1,1-bis(2-pyridinylmethyl)thiourea IUPAC Name: 3-(1-adamantyl)-1,1-bis(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(1-adamantyl)-1,1-bis(2-pyridylmethyl)thiourea Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)N(CC4=CC=CC=N4)CC5=CC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)N(CC4=CC=CC=N4)CC5=CC=CC=N5

InChI

InChI=1S/C23H28N4S/c28-22(26-23-12-17-9-18(13-23)11-19(10-17)14-23)27(15-20-5-1-3-7-24-20)16-21-6-2-4-8-25-21/h1-8,17-19H,9-16H2,(H,26,28)