N-[[5-[3-[2-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propylsulfanyl]thiophen-2-yl]methyl]ethanamide

Systemtic Name: N-[[5-[3-[2-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propylsulfanyl]thiophen-2-yl]methyl]ethanamide Openeye Name: N-[[5-[3-[2-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]propylsulfanyl]-2-thienyl]methyl]acetamide CAS Name: N-[[5-[3-[2-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propylthio]-2-thiophenyl]methyl]acetamide IUPAC Name: N-[[5-[3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propylsulfanyl]thiophen-2-yl]methyl]acetamide Traditional Name: N-[[5-[3-[2-(6-fluoroindoxazen-3-yl)piperidino]propylthio]-2-thienyl]methyl]acetamide Formula: C22H26FN3O2S2 MolecularWeight: 447.589143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)SCCCN2CCCCC2C3=NOC4=C3C=CC(=C4)F

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)SCCCN2CCCCC2C3=NOC4=C3C=CC(=C4)F

InChI

InChI=1S/C22H26FN3O2S2/c1-15(27)24-14-17-7-9-21(30-17)29-12-4-11-26-10-3-2-5-19(26)22-18-8-6-16(23)13-20(18)28-25-22/h6-9,13,19H,2-5,10-12,14H2,1H3,(H,24,27)