N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]acetamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3

InChI

InChI=1S/C21H31N5O3S/c1-3-11-26-20(28)23-24-21(26)30-15-19(27)22-14-18(25-12-5-4-6-13-25)16-7-9-17(29-2)10-8-16/h7-10,18H,3-6,11-15H2,1-2H3,(H,22,27)(H,23,28)