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

Systemtic Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxidanylidene-butanamide Openeye Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxo-butanamide CAS Name: 4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-N-(4-fluorophenyl)-4-oxobutanamide IUPAC Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide Traditional Name: 4-[4-(1,2-benzothiazol-3-yl)piperazino]-N-(4-fluorophenyl)-4-keto-butyramide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O2S/c22-15-5-7-16(8-6-15)23-19(27)9-10-20(28)25-11-13-26(14-12-25)21-17-3-1-2-4-18(17)29-24-21/h1-8H,9-14H2,(H,23,27)