3-(3-isoquinolin-1-ylsulfanylpropyl)-1H-benzimidazol-2-one

Systemtic Name: 3-(3-isoquinolin-1-ylsulfanylpropyl)-1H-benzimidazol-2-one Openeye Name: 3-[3-(1-isoquinolylsulfanyl)propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-(1-isoquinolinylthio)propyl]-1H-benzimidazol-2-one IUPAC Name: 3-(3-isoquinolin-1-ylsulfanylpropyl)-1H-benzimidazol-2-one Traditional Name: 3-[3-(1-isoquinolylthio)propyl]-1H-benzimidazol-2-one Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C19H17N3OS/c23-19-21-16-8-3-4-9-17(16)22(19)12-5-13-24-18-15-7-2-1-6-14(15)10-11-20-18/h1-4,6-11H,5,12-13H2,(H,21,23)