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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C(C2=CC=NC=C2)C(=O)NC(C)(C)C)C(=O)C3=CSN=N3

Isomeric SMILES

CC1=CC=C(C=C1)CN(C(C2=CC=NC=C2)C(=O)NC(C)(C)C)C(=O)C3=CSN=N3

InChI

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