4-[2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylbutanoylamino]benzamide

Systemtic Name: 4-[2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylbutanoylamino]benzamide Openeye Name: 4-[2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]butanoylamino]benzamide CAS Name: 4-[[2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxobutyl]amino]benzamide IUPAC Name: 4-[2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylbutanoylamino]benzamide Traditional Name: 4-[2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]butanoylamino]benzamide Formula: C31H28N4O4S MolecularWeight: 552.64342

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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=CC=C3)C4=C(C(=CC=C4)OC)OC)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=C(C(=CC=C4)OC)OC)C#N

InChI

InChI=1S/C31H28N4O4S/c1-4-27(30(37)34-21-15-13-20(14-16-21)29(33)36)40-31-24(18-32)23(17-25(35-31)19-9-6-5-7-10-19)22-11-8-12-26(38-2)28(22)39-3/h5-17,27H,4H2,1-3H3,(H2,33,36)(H,34,37)