1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(4-ethanoyl-5-methyl-furan-2-yl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(4-ethanoyl-5-methyl-furan-2-yl)propan-1-one Openeye Name: 3-(4-acetyl-5-methyl-2-furyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-acetyl-5-methyl-2-furanyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-acetyl-5-methylfuran-2-yl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-acetyl-5-methyl-2-furyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]propan-1-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C(=O)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C(=O)C

InChI

InChI=1S/C22H25N3O3S/c1-15(26)18-13-17(28-16(18)2)7-8-22(27)25-11-9-24(10-12-25)14-21-23-19-5-3-4-6-20(19)29-21/h3-6,13H,7-12,14H2,1-2H3