N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)ethanamide hydrochloride

Systemtic Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)ethanamide hydrochloride Openeye Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride CAS Name: N-[2-[3-(1-imidazolyl)propoxymethyl]-6-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride IUPAC Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methylsulfanylphenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride Traditional Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride Formula: C29H30ClN3O3S MolecularWeight: 536.0848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCN5C=CN=C5.Cl

Isomeric SMILES

CSC1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCN5C=CN=C5.Cl

InChI

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