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

Systemtic Name: N-[2-[[2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[[2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[[2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)CNC(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=CS4

Isomeric SMILES

CN(C)C(CNC(=O)CNC(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=CS4

InChI

InChI=1S/C21H31N3O2S/c1-24(2)17(18-4-3-5-27-18)12-22-19(25)13-23-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h3-5,14-17H,6-13H2,1-2H3,(H,22,25)(H,23,26)