6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-chromen-4-one

Systemtic Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-chromen-4-one Openeye Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-chromen-4-one CAS Name: 6-(1-azepanylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-1-benzopyran-4-one IUPAC Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methylchromen-4-one Traditional Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-chromone Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)CN3CCCCCC3)C(=O)C(=CO2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C2C(=CC(=C1O)CN3CCCCCC3)C(=O)C(=CO2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N2O3S/c1-15-21(27)16(13-26-10-6-2-3-7-11-26)12-17-22(28)18(14-29-23(15)17)24-25-19-8-4-5-9-20(19)30-24/h4-5,8-9,12,14,27H,2-3,6-7,10-11,13H2,1H3