N-(2-methylsulfanylphenyl)-N-(3-oxidanylpropoxymethyl)-2-(9H-xanthen-9-yl)ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-N-(3-oxidanylpropoxymethyl)-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-(3-hydroxypropoxymethyl)-N-(2-methylsulfanylphenyl)-2-(9H-xanthen-9-yl)acetamide CAS Name: N-(3-hydroxypropoxymethyl)-N-[2-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-(3-hydroxypropoxymethyl)-N-(2-methylsulfanylphenyl)-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-(3-hydroxypropoxymethyl)-N-[2-(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=C1N(COCCCO)C(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CSC1=CC=CC=C1N(COCCCO)C(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24

InChI

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