4-[2-[[5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-allyl-5-[2-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[[5-[2-(1-piperidinyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: 4-[[2-[[5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-allyl-5-(2-piperidinoethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)CCN3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)CCN3CCCCC3

InChI

InChI=1S/C21H28N6O2S/c1-2-11-27-18(10-14-26-12-4-3-5-13-26)24-25-21(27)30-15-19(28)23-17-8-6-16(7-9-17)20(22)29/h2,6-9H,1,3-5,10-15H2,(H2,22,29)(H,23,28)