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

Systemtic Name: N-[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(3-ethylphenyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide CAS Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(3-ethylphenyl)-4-thiadiazolecarboxamide IUPAC Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide Traditional Name: N-[(1S)-2-(cyclohexylamino)-2-keto-1-(3-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=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)C4=CSN=N4

Isomeric SMILES

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

InChI

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