N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)C)C#N

InChI

InChI=1S/C22H25N5O2S/c1-13-15(14(2)24-22(29)16(13)12-23)8-9-20(28)25-19(10-11-30-3)21-26-17-6-4-5-7-18(17)27-21/h4-7,19H,8-11H2,1-3H3,(H,24,29)(H,25,28)(H,26,27)