2-[[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[[(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl]-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl]-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[[(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl]-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)N(C)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[C@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)N(C)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H23N5O2S/c1-14(27(2)13-20(28)24-18-10-6-7-11-19(18)30-3)21(29)15(12-23)22-25-16-8-4-5-9-17(16)26-22/h4-11,14,25-26H,13H2,1-3H3,(H,24,28)/t14-/m1/s1