3-[3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]propyl]-1H-benzimidazol-2-one Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCCCN3C4=CC=CC=C4NC3=O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCCCN3C4=CC=CC=C4NC3=O)C

InChI

InChI=1S/C22H22N2O3S/c1-14-10-17-16(12-21(25)27-20(17)11-15(14)2)13-28-9-5-8-24-19-7-4-3-6-18(19)23-22(24)26/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,23,26)