3-(1,3-benzothiazol-2-yl)-6-[[bis(2-methylpropyl)amino]methyl]-8-methyl-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-[[bis(2-methylpropyl)amino]methyl]-8-methyl-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-[(diisobutylamino)methyl]-7-hydroxy-8-methyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-8-methyl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-8-methylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-[(diisobutylamino)methyl]-7-hydroxy-8-methyl-chromone Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)CN(CC(C)C)CC(C)C)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C2C(=CC(=C1O)CN(CC(C)C)CC(C)C)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3

InChI

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