N-[3-[4-(2-fluorophenyl)piperazin-1-yl]carbonylphenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]carbonylphenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[3-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=CC=C3)NC(=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=CC=C3)NC(=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C25H21FN4O2S/c26-20-9-2-3-10-21(20)29-12-14-30(15-13-29)25(32)17-6-5-7-18(16-17)27-24(31)23-19-8-1-4-11-22(19)33-28-23/h1-11,16H,12-15H2,(H,27,31)