4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazino]methyl]-7,8-dimethyl-coumarin Formula: C24H25N3O2S MolecularWeight: 419.5392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C24H25N3O2S/c1-16-7-8-19-18(13-23(28)29-24(19)17(16)2)14-26-9-11-27(12-10-26)15-22-25-20-5-3-4-6-21(20)30-22/h3-8,13H,9-12,14-15H2,1-2H3