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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-methyl-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-isopropyl-8-methyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-8-methyl-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-methyl-2-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-[[4-(2-hydroxyethyl)piperazino]methyl]-2-isopropyl-8-methyl-chromone Formula: C27H31N3O4S MolecularWeight: 493.61774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-16(2)25-22(27-28-20-6-4-5-7-21(20)35-27)24(33)19-14-18(23(32)17(3)26(19)34-25)15-30-10-8-29(9-11-30)12-13-31/h4-7,14,16,31-32H,8-13,15H2,1-3H3