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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=NC=C1)N(CCC2=CC=CC=C2)C(=O)C3=CSN=N3

Isomeric SMILES

CC(C)(C)NC(=O)[C@H](C1=CC=NC=C1)N(CCC2=CC=CC=C2)C(=O)C3=CSN=N3

InChI

InChI=1S/C22H25N5O2S/c1-22(2,3)24-20(28)19(17-9-12-23-13-10-17)27(21(29)18-15-30-26-25-18)14-11-16-7-5-4-6-8-16/h4-10,12-13,15,19H,11,14H2,1-3H3,(H,24,28)/t19-/m0/s1