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

Systemtic Name: N-[5-(3-imidazol-1-ylpropoxymethyl)-2-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-[5-(3-imidazol-1-ylpropoxymethyl)-2-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)acetamide CAS Name: N-[5-[3-(1-imidazolyl)propoxymethyl]-2-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-[5-(3-imidazol-1-ylpropoxymethyl)-2-methylsulfanylphenyl]-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-[5-(3-imidazol-1-ylpropoxymethyl)-2-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)COCCCN2C=CN=C2)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CSC1=C(C=C(C=C1)COCCCN2C=CN=C2)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C29H29N3O3S/c1-36-28-12-11-21(19-34-16-6-14-32-15-13-30-20-32)17-25(28)31-29(33)18-24-22-7-2-4-9-26(22)35-27-10-5-3-8-23(24)27/h2-5,7-13,15,17,20,24H,6,14,16,18-19H2,1H3,(H,31,33)