4-[2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylbutanoylamino]benzamide

Systemtic Name: 4-[2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylbutanoylamino]benzamide Openeye Name: 4-[2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]butanoylamino]benzamide CAS Name: 4-[[2-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-1-oxobutyl]amino]benzamide IUPAC Name: 4-[2-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylbutanoylamino]benzamide Traditional Name: 4-[2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]butanoylamino]benzamide Formula: C23H19ClN4O2S MolecularWeight: 450.94056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C23H19ClN4O2S/c1-2-20(22(30)27-18-10-5-15(6-11-18)21(26)29)31-23-16(13-25)7-12-19(28-23)14-3-8-17(24)9-4-14/h3-12,20H,2H2,1H3,(H2,26,29)(H,27,30)