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

Systemtic Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-7-oxidanyl-chromen-4-one Openeye Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-methyl-chromen-4-one CAS Name: 6-(1-azepanylmethyl)-3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-methyl-1-benzopyran-4-one IUPAC Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-methylchromen-4-one Traditional Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-methyl-chromone Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCCCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H28N2O3S/c1-3-20-22(26-27-19-10-6-7-11-21(19)32-26)24(30)18-14-17(23(29)16(2)25(18)31-20)15-28-12-8-4-5-9-13-28/h6-7,10-11,14,29H,3-5,8-9,12-13,15H2,1-2H3