1-[2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]acetyl]isonipecotamide Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCC(CC3)C(=O)N)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCC(CC3)C(=O)N)N4CCCCC4

InChI

InChI=1S/C22H30N6O3S/c1-31-18-8-4-3-7-17(18)28-21(27-11-5-2-6-12-27)24-25-22(28)32-15-19(29)26-13-9-16(10-14-26)20(23)30/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H2,23,30)