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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-[(4-methyl-1-piperazinyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-[(4-methylpiperazino)methyl]chromone Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)CN5CCN(CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)CN5CCN(CC5)C)O

InChI

InChI=1S/C25H27N3O3S/c1-4-16-13-17-23(30)21(25-26-19-7-5-6-8-20(19)32-25)15(2)31-24(17)18(22(16)29)14-28-11-9-27(3)10-12-28/h5-8,13,29H,4,9-12,14H2,1-3H3