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

Systemtic Name: 2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(2-phenylbutanoyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4

InChI

InChI=1S/C22H27N3O2S/c1-2-17(16-7-4-3-5-8-16)22(27)25-13-11-24(12-14-25)15-20-23-18-9-6-10-19(26)21(18)28-20/h3-5,7-8,17H,2,6,9-15H2,1H3