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

Systemtic Name: N-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(phenylmethyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-benzyl-N-[(1S)-2-(1,1-dimethylpropylamino)-2-oxo-1-(3-pyridyl)ethyl]thiadiazole-4-carboxamide CAS Name: N-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(phenylmethyl)-4-thiadiazolecarboxamide IUPAC Name: N-benzyl-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-benzyl-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(CC2=CC=CC=C2)C(=O)C3=CSN=N3

Isomeric SMILES

CCC(C)(C)NC(=O)[C@H](C1=CN=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CSN=N3

InChI

InChI=1S/C22H25N5O2S/c1-4-22(2,3)24-20(28)19(17-11-8-12-23-13-17)27(14-16-9-6-5-7-10-16)21(29)18-15-30-26-25-18/h5-13,15,19H,4,14H2,1-3H3,(H,24,28)/t19-/m0/s1