N-[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N-(3-ethylphenyl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N-(3-ethylphenyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(4-pyridyl)ethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide CAS Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)-4-thiadiazolecarboxamide IUPAC Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide Traditional Name: N-[(1S)-2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)C4=CSN=N4

Isomeric SMILES

CCC1=CC(=CC=C1)N([C@@H](C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)C4=CSN=N4

InChI

InChI=1S/C24H27N5O2S/c1-2-17-7-6-10-20(15-17)29(24(31)21-16-32-28-27-21)22(18-11-13-25-14-12-18)23(30)26-19-8-4-3-5-9-19/h6-7,10-16,19,22H,2-5,8-9H2,1H3,(H,26,30)/t22-/m0/s1