4-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(coumaran-5-ylmethyl)piperazino]butan-1-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H27N3O2S/c28-24(7-3-6-23-25-20-4-1-2-5-22(20)30-23)27-13-11-26(12-14-27)17-18-8-9-21-19(16-18)10-15-29-21/h1-2,4-5,8-9,16H,3,6-7,10-15,17H2