N-[2-methylsulfanyl-5-(3-oxidanylpropoxymethyl)phenyl]-2-(9H-xanthen-9-yl)ethanamide

Systemtic Name: N-[2-methylsulfanyl-5-(3-oxidanylpropoxymethyl)phenyl]-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-[5-(3-hydroxypropoxymethyl)-2-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)acetamide CAS Name: N-[5-(3-hydroxypropoxymethyl)-2-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-[5-(3-hydroxypropoxymethyl)-2-methylsulfanylphenyl]-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-[5-(3-hydroxypropoxymethyl)-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=C(C=C(C=C1)COCCCO)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CSC1=C(C=C(C=C1)COCCCO)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24

InChI

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