N-[2-[(1-cyano-3-methylsulfanyl-propyl)carbamoyl]cyclohexyl]-5-fluoranyl-1-methyl-indole-2-carboxamide

Systemtic Name: N-[2-[(1-cyano-3-methylsulfanyl-propyl)carbamoyl]cyclohexyl]-5-fluoranyl-1-methyl-indole-2-carboxamide Openeye Name: N-[2-[(1-cyano-3-methylsulfanyl-propyl)carbamoyl]cyclohexyl]-5-fluoro-1-methyl-indole-2-carboxamide CAS Name: N-[2-[[[1-cyano-3-(methylthio)propyl]amino]-oxomethyl]cyclohexyl]-5-fluoro-1-methyl-2-indolecarboxamide IUPAC Name: N-[2-[(1-cyano-3-methylsulfanylpropyl)carbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide Traditional Name: N-[2-[[1-cyano-3-(methylthio)propyl]carbamoyl]cyclohexyl]-5-fluoro-1-methyl-indole-2-carboxamide Formula: C22H27FN4O2S MolecularWeight: 430.538783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C=C1C(=O)NC3CCCCC3C(=O)NC(CCSC)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C=C1C(=O)NC3CCCCC3C(=O)NC(CCSC)C#N

InChI

InChI=1S/C22H27FN4O2S/c1-27-19-8-7-15(23)11-14(19)12-20(27)22(29)26-18-6-4-3-5-17(18)21(28)25-16(13-24)9-10-30-2/h7-8,11-12,16-18H,3-6,9-10H2,1-2H3,(H,25,28)(H,26,29)