N-[2-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl]ethyl]ethanamide

Systemtic Name: N-[2-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl]ethyl]ethanamide Openeye Name: N-[2-[(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl]ethyl]acetamide CAS Name: N-[2-[(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl]ethyl]acetamide IUPAC Name: N-[2-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl]ethyl]acetamide Traditional Name: N-[2-[(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl]ethyl]acetamide Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1CCCCC1(C2=CN=CC=C2)C(=S)NC

Isomeric SMILES

CC(=O)NCC[C@H]1CCCC[C@]1(C2=CN=CC=C2)C(=S)NC

InChI

InChI=1S/C17H25N3OS/c1-13(21)20-11-8-14-6-3-4-9-17(14,16(22)18-2)15-7-5-10-19-12-15/h5,7,10,12,14H,3-4,6,8-9,11H2,1-2H3,(H,18,22)(H,20,21)/t14-,17+/m1/s1