tert-butyl-[3-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]propyl]azanium Openeye Name: 3-[[3-(benzylsulfanylmethyl)benzofuran-2-carbonyl]amino]propyl-tert-butyl-ammonium CAS Name: tert-butyl-[3-[[oxo-[3-[(phenylmethylthio)methyl]-2-benzofuranyl]methyl]amino]propyl]ammonium IUPAC Name: 3-[[3-(benzylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]propyl-tert-butylazanium Traditional Name: 3-[[3-[(benzylthio)methyl]benzofuran-2-carbonyl]amino]propyl-tert-butyl-ammonium Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O2S/c1-24(2,3)26-15-9-14-25-23(27)22-20(19-12-7-8-13-21(19)28-22)17-29-16-18-10-5-4-6-11-18/h4-8,10-13,26H,9,14-17H2,1-3H3,(H,25,27)/p+1