2-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylpropanoylamino]benzamide

Systemtic Name: 2-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylpropanoylamino]benzamide Openeye Name: 2-[2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]propanoylamino]benzamide CAS Name: 2-[[2-[(6-butyl-3-cyano-2-pyridinyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-(6-butyl-3-cyanopyridin-2-yl)sulfanylpropanoylamino]benzamide Traditional Name: 2-[2-[(6-butyl-3-cyano-2-pyridyl)thio]propanoylamino]benzamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC=CC=C2C(=O)N

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C20H22N4O2S/c1-3-4-7-15-11-10-14(12-21)20(23-15)27-13(2)19(26)24-17-9-6-5-8-16(17)18(22)25/h5-6,8-11,13H,3-4,7H2,1-2H3,(H2,22,25)(H,24,26)