3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)amino]methyl]-2-ethyl-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)amino]methyl]-2-ethyl-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylamino)methyl]-2-ethyl-7-hydroxy-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)amino]methyl]-2-ethyl-7-hydroxy-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)amino]methyl]-2-ethyl-7-hydroxychromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylamino)methyl]-2-ethyl-7-hydroxy-chromone Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN(CC(C)C)CC(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN(CC(C)C)CC(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C27H32N2O3S/c1-6-22-24(27-28-20-9-7-8-10-23(20)33-27)25(31)18-11-12-21(30)19(26(18)32-22)15-29(13-16(2)3)14-17(4)5/h7-12,16-17,30H,6,13-15H2,1-5H3