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

Systemtic Name: 2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide CAS Name: N-[oxo(propylamino)methyl]-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(propylcarbamoyl)acetamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O2S/c1-2-11-21-19(28)22-18(27)15-29-20-24-23-17(14-25-12-7-4-8-13-25)26(20)16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3,(H2,21,22,27,28)