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

Systemtic Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-7-oxidanyl-chromen-4-one Openeye Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2,8-dimethyl-chromen-4-one CAS Name: 6-(1-azepanylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2,8-dimethyl-1-benzopyran-4-one IUPAC Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2,8-dimethylchromen-4-one Traditional Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2,8-dimethyl-chromone Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)CN3CCCCCC3)C(=O)C(=C(O2)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C2C(=CC(=C1O)CN3CCCCCC3)C(=O)C(=C(O2)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N2O3S/c1-15-22(28)17(14-27-11-7-3-4-8-12-27)13-18-23(29)21(16(2)30-24(15)18)25-26-19-9-5-6-10-20(19)31-25/h5-6,9-10,13,28H,3-4,7-8,11-12,14H2,1-2H3