N-[2-oxidanylidene-2-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)amino]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)amino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-oxo-2-[[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]amino]ethyl]adamantane-1-carboxamide CAS Name: N-[2-oxo-2-[[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[[2-pyrrolidino-2-(2-thienyl)ethyl]amino]ethyl]adamantane-1-carboxamide Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

InChI

InChI=1S/C23H33N3O2S/c27-21(24-14-19(20-4-3-7-29-20)26-5-1-2-6-26)15-25-22(28)23-11-16-8-17(12-23)10-18(9-16)13-23/h3-4,7,16-19H,1-2,5-6,8-15H2,(H,24,27)(H,25,28)