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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxo-butanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[4-(2-fluorophenyl)piperazino]-4-keto-butyramide Formula: C23H25FN4O2S MolecularWeight: 440.533603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C23H25FN4O2S/c1-15-13-16(2)22-19(14-15)31-23(26-22)25-20(29)7-8-21(30)28-11-9-27(10-12-28)18-6-4-3-5-17(18)24/h3-6,13-14H,7-12H2,1-2H3,(H,25,26,29)