N-(2-methoxyethylcarbamoyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methoxyethylcarbamoyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methoxyethylcarbamoyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2-methoxyethylamino)-oxomethyl]-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methoxyethylcarbamoyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methoxyethylcarbamoyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H28N6O3S MolecularWeight: 432.53972

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

Isomeric SMILES

COCCNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

InChI

InChI=1S/C20H28N6O3S/c1-29-13-10-21-19(28)22-18(27)15-30-20-24-23-17(14-25-11-6-3-7-12-25)26(20)16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,21,22,27,28)