2-[4-(4-phenylsulfanylpiperidin-1-yl)phenyl]hex-3-ynamide

Systemtic Name: 2-[4-(4-phenylsulfanylpiperidin-1-yl)phenyl]hex-3-ynamide Openeye Name: 2-[4-(4-phenylsulfanyl-1-piperidyl)phenyl]hex-3-ynamide CAS Name: 2-[4-[4-(phenylthio)-1-piperidinyl]phenyl]-3-hexynamide IUPAC Name: 2-[4-(4-phenylsulfanylpiperidin-1-yl)phenyl]hex-3-ynamide Traditional Name: 2-[4-[4-(phenylthio)piperidino]phenyl]hex-3-ynamide Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C1=CC=C(C=C1)N2CCC(CC2)SC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCC#CC(C1=CC=C(C=C1)N2CCC(CC2)SC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C23H26N2OS/c1-2-3-9-22(23(24)26)18-10-12-19(13-11-18)25-16-14-21(15-17-25)27-20-7-5-4-6-8-20/h4-8,10-13,21-22H,2,14-17H2,1H3,(H2,24,26)