3-[4-ethyl-5-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[2-oxo-2-[4-(1-piperidyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[2-oxo-2-[4-(1-piperidinyl)anilino]ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-keto-2-(4-piperidinoanilino)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCC3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCC3)CCC(=O)N

InChI

InChI=1S/C20H28N6O2S/c1-2-26-18(11-10-17(21)27)23-24-20(26)29-14-19(28)22-15-6-8-16(9-7-15)25-12-4-3-5-13-25/h6-9H,2-5,10-14H2,1H3,(H2,21,27)(H,22,28)