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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: N-(isopropylcarbamoyl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: N-(isopropylcarbamoyl)-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NC(C)C)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NC(C)C)N3CCCCC3

InChI

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