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

Systemtic Name: N-[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N-(3-methylbutyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(4-pyridyl)ethyl]-N-isopentyl-thiadiazole-4-carboxamide CAS Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylbutyl)-4-thiadiazolecarboxamide IUPAC Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide Traditional Name: N-[(1R)-2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl]-N-isoamyl-thiadiazole-4-carboxamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(C1=CC=NC=C1)C(=O)NC2CCCCC2)C(=O)C3=CSN=N3

Isomeric SMILES

CC(C)CCN([C@H](C1=CC=NC=C1)C(=O)NC2CCCCC2)C(=O)C3=CSN=N3

InChI

InChI=1S/C21H29N5O2S/c1-15(2)10-13-26(21(28)18-14-29-25-24-18)19(16-8-11-22-12-9-16)20(27)23-17-6-4-3-5-7-17/h8-9,11-12,14-15,17,19H,3-7,10,13H2,1-2H3,(H,23,27)/t19-/m1/s1