3H-benzimidazol-5-yl-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: 3H-benzimidazol-5-yl-[4-[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[4-(5-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-[4-(5-fluorobenzothiophene-2-carbonyl)piperazino]methanone Formula: C21H17FN4O2S MolecularWeight: 408.448683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CN3)C(=O)C4=CC5=C(S4)C=CC(=C5)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CN3)C(=O)C4=CC5=C(S4)C=CC(=C5)F

InChI

InChI=1S/C21H17FN4O2S/c22-15-2-4-18-14(9-15)11-19(29-18)21(28)26-7-5-25(6-8-26)20(27)13-1-3-16-17(10-13)24-12-23-16/h1-4,9-12H,5-8H2,(H,23,24)