2-[[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Systemtic Name: 2-[[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-(1-oxo-2-phenoxypropyl)-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(2-phenoxypropanoyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=NC3=C(S2)C(=O)CCC3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=NC3=C(S2)C(=O)CCC3)OC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S/c1-15(27-16-6-3-2-4-7-16)21(26)24-12-10-23(11-13-24)14-19-22-17-8-5-9-18(25)20(17)28-19/h2-4,6-7,15H,5,8-14H2,1H3