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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-fluorobenzothiophene-2-carbonyl)piperazino]methanone Formula: C21H17FN2O4S MolecularWeight: 412.434083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=CC=C5S4)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=CC=C5S4)F

InChI

InChI=1S/C21H17FN2O4S/c22-15-2-1-3-18-14(15)11-19(29-18)21(26)24-8-6-23(7-9-24)20(25)13-4-5-16-17(10-13)28-12-27-16/h1-5,10-11H,6-9,12H2