3-(1,3-benzothiazol-2-yl)-8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-methyl-6-[(4-methylpiperazin-1-yl)methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-[(4-methyl-1-piperazinyl)methyl]-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-methyl-6-[(4-methylpiperazino)methyl]chromone Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)CN3CCN(CC3)C)C(=O)C(=C(O2)C(C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C2C(=CC(=C1O)CN3CCN(CC3)C)C(=O)C(=C(O2)C(C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H29N3O3S/c1-15(2)24-21(26-27-19-7-5-6-8-20(19)33-26)23(31)18-13-17(22(30)16(3)25(18)32-24)14-29-11-9-28(4)10-12-29/h5-8,13,15,30H,9-12,14H2,1-4H3