(3R)-N-[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-5-oxidanylidene-N-phenyl-thiolane-3-carboxamide

Systemtic Name: (3R)-N-[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-5-oxidanylidene-N-phenyl-thiolane-3-carboxamide Openeye Name: (3R)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-(4-pyridyl)ethyl]-5-oxo-N-phenyl-tetrahydrothiophene-3-carboxamide CAS Name: (3R)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-5-oxo-N-phenyl-3-thiolanecarboxamide IUPAC Name: (3R)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-5-oxo-N-phenylthiolane-3-carboxamide Traditional Name: (3R)-N-[(1S)-2-(tert-butylamino)-2-keto-1-(4-pyridyl)ethyl]-5-keto-N-phenyl-tetrahydrothiophene-3-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=NC=C1)N(C2=CC=CC=C2)C(=O)C3CC(=O)SC3

Isomeric SMILES

CC(C)(C)NC(=O)[C@H](C1=CC=NC=C1)N(C2=CC=CC=C2)C(=O)[C@H]3CC(=O)SC3

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)24-20(27)19(15-9-11-23-12-10-15)25(17-7-5-4-6-8-17)21(28)16-13-18(26)29-14-16/h4-12,16,19H,13-14H2,1-3H3,(H,24,27)/t16-,19-/m0/s1