N-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-methylphenyl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-methylphenyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1S)-2-(1,1-dimethylpropylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(p-tolyl)thiadiazole-4-carboxamide CAS Name: N-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-methylphenyl)-4-thiadiazolecarboxamide IUPAC Name: N-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide Traditional Name: N-[(1S)-2-(tert-amylamino)-2-keto-1-(3-pyridyl)ethyl]-N-(p-tolyl)thiadiazole-4-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-5-22(3,4)24-20(28)19(16-7-6-12-23-13-16)27(17-10-8-15(2)9-11-17)21(29)18-14-30-26-25-18/h6-14,19H,5H2,1-4H3,(H,24,28)/t19-/m0/s1