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

Systemtic Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-methyl-chromen-4-one CAS Name: 6-(1-azepanylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-2-propan-2-ylchromen-4-one Traditional Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-methyl-chromone Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3S/c1-16(2)25-22(27-28-20-10-6-7-11-21(20)33-27)24(31)19-14-18(23(30)17(3)26(19)32-25)15-29-12-8-4-5-9-13-29/h6-7,10-11,14,16,30H,4-5,8-9,12-13,15H2,1-3H3