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

Systemtic Name: N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N-(3-ethylphenyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-(4-pyridyl)ethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide CAS Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)-4-thiadiazolecarboxamide IUPAC Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide Traditional Name: N-[(1R)-2-(tert-butylamino)-2-keto-1-(4-pyridyl)ethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(C(C2=CC=NC=C2)C(=O)NC(C)(C)C)C(=O)C3=CSN=N3

Isomeric SMILES

CCC1=CC(=CC=C1)N([C@H](C2=CC=NC=C2)C(=O)NC(C)(C)C)C(=O)C3=CSN=N3

InChI

InChI=1S/C22H25N5O2S/c1-5-15-7-6-8-17(13-15)27(21(29)18-14-30-26-25-18)19(16-9-11-23-12-10-16)20(28)24-22(2,3)4/h6-14,19H,5H2,1-4H3,(H,24,28)/t19-/m1/s1