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

Systemtic Name: N-[2-methylsulfanyl-5-(3-oxidanylpropoxy)phenyl]-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-[5-(3-hydroxypropoxy)-2-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)acetamide CAS Name: N-[5-(3-hydroxypropoxy)-2-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-[5-(3-hydroxypropoxy)-2-methylsulfanylphenyl]-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-[5-(3-hydroxypropoxy)-2-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4S/c1-31-24-12-11-17(29-14-6-13-27)15-21(24)26-25(28)16-20-18-7-2-4-9-22(18)30-23-10-5-3-8-19(20)23/h2-5,7-12,15,20,27H,6,13-14,16H2,1H3,(H,26,28)