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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)amino]methyl]-2-methyl-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-methyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-2-methyl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-2-methylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-methyl-chromone Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C26H30N2O3S/c1-15(2)12-28(13-16(3)4)14-19-21(29)11-10-18-24(30)23(17(5)31-25(18)19)26-27-20-8-6-7-9-22(20)32-26/h6-11,15-16,29H,12-14H2,1-5H3