2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(3-pyridylmethyl)benzamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C25H29N3O2S/c29-23(28-25-11-18-8-19(12-25)10-20(9-18)13-25)16-31-22-6-2-1-5-21(22)24(30)27-15-17-4-3-7-26-14-17/h1-7,14,18-20H,8-13,15-16H2,(H,27,30)(H,28,29)