3-[3-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]propyl]-1H-benzimidazol-2-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCSCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCSCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H22N4O2S/c25-19-21-15-7-1-3-9-17(15)23(19)11-5-13-27-14-6-12-24-18-10-4-2-8-16(18)22-20(24)26/h1-4,7-10H,5-6,11-14H2,(H,21,25)(H,22,26)