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

Systemtic Name: N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N-(3-methylphenyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-(4-pyridyl)ethyl]-N-(m-tolyl)thiadiazole-4-carboxamide CAS Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-4-thiadiazolecarboxamide IUPAC Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide Traditional Name: N-[(1R)-2-(tert-butylamino)-2-keto-1-(4-pyridyl)ethyl]-N-(m-tolyl)thiadiazole-4-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)N([C@H](C2=CC=NC=C2)C(=O)NC(C)(C)C)C(=O)C3=CSN=N3

InChI

InChI=1S/C21H23N5O2S/c1-14-6-5-7-16(12-14)26(20(28)17-13-29-25-24-17)18(15-8-10-22-11-9-15)19(27)23-21(2,3)4/h5-13,18H,1-4H3,(H,23,27)/t18-/m1/s1