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

Systemtic Name: N-(4-ethylphenyl)-N-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1S)-2-(1,1-dimethylpropylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-ethylphenyl)thiadiazole-4-carboxamide CAS Name: N-(4-ethylphenyl)-N-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxo-1-(3-pyridinyl)ethyl]-4-thiadiazolecarboxamide IUPAC Name: N-(4-ethylphenyl)-N-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide Traditional Name: N-[(1S)-2-(tert-amylamino)-2-keto-1-(3-pyridyl)ethyl]-N-(4-ethylphenyl)thiadiazole-4-carboxamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2S/c1-5-16-9-11-18(12-10-16)28(22(30)19-15-31-27-26-19)20(17-8-7-13-24-14-17)21(29)25-23(3,4)6-2/h7-15,20H,5-6H2,1-4H3,(H,25,29)/t20-/m0/s1