N-(1-adamantylcarbamoyl)-3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantylcarbamoyl)-3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H28N4O2S/c1-13-5-14(2)24-20(18(13)12-23)29-4-3-19(27)25-21(28)26-22-9-15-6-16(10-22)8-17(7-15)11-22/h5,15-17H,3-4,6-11H2,1-2H3,(H2,25,26,27,28)