N-[2-oxidanylidene-2-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-oxo-2-[4-(3-pyridylmethylsulfanyl)anilino]ethyl]adamantane-1-carboxamide CAS Name: N-[2-oxo-2-[4-(3-pyridinylmethylthio)anilino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-oxo-2-[4-(pyridin-3-ylmethylsulfanyl)anilino]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[4-(3-pyridylmethylthio)anilino]ethyl]adamantane-1-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

InChI

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