5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoyl]-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoyl]-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoyl]-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoyl]-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-[2-[(4,6,8-trimethyl-2-quinolyl)thio]propanoyl]-1,3-dihydrobenzimidazol-2-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)C3=CC4=C(C=C3)NC(=O)N4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)C3=CC4=C(C=C3)NC(=O)N4)C)C

InChI

InChI=1S/C22H21N3O2S/c1-11-7-13(3)20-16(8-11)12(2)9-19(25-20)28-14(4)21(26)15-5-6-17-18(10-15)24-22(27)23-17/h5-10,14H,1-4H3,(H2,23,24,27)