N-[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-2-yl-ethyl]-N-cyclohexyl-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-2-yl-ethyl]-N-cyclohexyl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-(2-pyridyl)ethyl]-N-cyclohexyl-thiadiazole-4-carboxamide CAS Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-(2-pyridinyl)ethyl]-N-cyclohexyl-4-thiadiazolecarboxamide IUPAC Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclohexylthiadiazole-4-carboxamide Traditional Name: N-[(1S)-2-(tert-butylamino)-2-keto-1-(2-pyridyl)ethyl]-N-cyclohexyl-thiadiazole-4-carboxamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=CC=N1)N(C2CCCCC2)C(=O)C3=CSN=N3

Isomeric SMILES

CC(C)(C)NC(=O)[C@H](C1=CC=CC=N1)N(C2CCCCC2)C(=O)C3=CSN=N3

InChI

InChI=1S/C20H27N5O2S/c1-20(2,3)22-18(26)17(15-11-7-8-12-21-15)25(14-9-5-4-6-10-14)19(27)16-13-28-24-23-16/h7-8,11-14,17H,4-6,9-10H2,1-3H3,(H,22,26)/t17-/m0/s1