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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-isopropyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazino]methyl]-2-isopropyl-chromone Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O4S/c1-4-18-15-19-25(34)23(28-29-21-7-5-6-8-22(21)36-28)26(17(2)3)35-27(19)20(24(18)33)16-31-11-9-30(10-12-31)13-14-32/h5-8,15,17,32-33H,4,9-14,16H2,1-3H3