N-[5-(3-imidazol-1-ylpropoxy)-2-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)ethanamide

Systemtic Name: N-[5-(3-imidazol-1-ylpropoxy)-2-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-[5-(3-imidazol-1-ylpropoxy)-2-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)acetamide CAS Name: N-[5-[3-(1-imidazolyl)propoxy]-2-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-[5-(3-imidazol-1-ylpropoxy)-2-methylsulfanylphenyl]-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-[5-(3-imidazol-1-ylpropoxy)-2-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)OCCCN2C=CN=C2)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CSC1=C(C=C(C=C1)OCCCN2C=CN=C2)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C28H27N3O3S/c1-35-27-12-11-20(33-16-6-14-31-15-13-29-19-31)17-24(27)30-28(32)18-23-21-7-2-4-9-25(21)34-26-10-5-3-8-22(23)26/h2-5,7-13,15,17,19,23H,6,14,16,18H2,1H3,(H,30,32)