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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[5-piperidino-4-(p-tolyl)-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=C(C=C2)C)N3CCCCC3

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)N3CCCCC3

InChI

InChI=1S/C20H28N6O2S/c1-3-11-21-18(28)22-17(27)14-29-20-24-23-19(25-12-5-4-6-13-25)26(20)16-9-7-15(2)8-10-16/h7-10H,3-6,11-14H2,1-2H3,(H2,21,22,27,28)