N-[2-methylsulfanyl-6-(3-oxidanylpropoxymethyl)phenyl]-2-(9H-xanthen-9-yl)ethanamide

Systemtic Name: N-[2-methylsulfanyl-6-(3-oxidanylpropoxymethyl)phenyl]-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-[2-(3-hydroxypropoxymethyl)-6-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)acetamide CAS Name: N-[2-(3-hydroxypropoxymethyl)-6-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-[2-(3-hydroxypropoxymethyl)-6-methylsulfanylphenyl]-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-[2-(3-hydroxypropoxymethyl)-6-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCO

Isomeric SMILES

CSC1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCO

InChI

InChI=1S/C26H27NO4S/c1-32-24-13-6-8-18(17-30-15-7-14-28)26(24)27-25(29)16-21-19-9-2-4-11-22(19)31-23-12-5-3-10-20(21)23/h2-6,8-13,21,28H,7,14-17H2,1H3,(H,27,29)