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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CN=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CSN=N3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-21(2,3)23-19(27)18(16-10-7-11-22-12-16)26(13-15-8-5-4-6-9-15)20(28)17-14-29-25-24-17/h4-12,14,18H,13H2,1-3H3,(H,23,27)/t18-/m0/s1