N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-butanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-keto-4-[4-(2-methoxyphenyl)piperazino]butyramide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C22H23FN4O3S/c1-30-18-5-3-2-4-17(18)26-10-12-27(13-11-26)21(29)9-8-20(28)25-22-24-16-7-6-15(23)14-19(16)31-22/h2-7,14H,8-13H2,1H3,(H,24,25,28)