N-(3-imidazol-1-ylpropyl)-4-(2-phenylsulfanylethoxy)benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-(2-phenylsulfanylethoxy)benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-(2-phenylsulfanylethoxy)benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-[2-(phenylthio)ethoxy]benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-(2-phenylsulfanylethoxy)benzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-[2-(phenylthio)ethoxy]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCOC2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)SCCOC2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C21H23N3O2S/c25-21(23-11-4-13-24-14-12-22-17-24)18-7-9-19(10-8-18)26-15-16-27-20-5-2-1-3-6-20/h1-3,5-10,12,14,17H,4,11,13,15-16H2,(H,23,25)