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

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

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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)CC)C(=O)C3=CSN=N3

Isomeric SMILES

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

InChI

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