N-cyclohexyl-2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-cyclohexyl-2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-cyclohexyl-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-cyclohexyl-2-[[4-ethyl-5-[(2-oxo-1-azepanyl)methyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-cyclohexyl-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-cyclohexyl-2-[[4-ethyl-5-[(2-ketoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H33N5O2S MolecularWeight: 407.57332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)CN3CCCCCC3=O

InChI

InChI=1S/C20H33N5O2S/c1-3-25-17(14-24-13-9-5-8-12-18(24)26)22-23-20(25)28-15(2)19(27)21-16-10-6-4-7-11-16/h15-16H,3-14H2,1-2H3,(H,21,27)