2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]acetamide CAS Name: 2-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[3-(1,3-benzoxazol-2-yl)piperidino]acetamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CN2CCCC(C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CN2CCCC(C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H25N3O2S/c1-2-14-29-21-12-6-4-10-19(21)24-22(27)16-26-13-7-8-17(15-26)23-25-18-9-3-5-11-20(18)28-23/h2-6,9-12,17H,1,7-8,13-16H2,(H,24,27)