4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-N-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C(=O)[C@H]2COC3=CC=CC=C3O2)C(=S)NC4=CC=CC=C4F

InChI

InChI=1S/C20H20FN3O3S/c21-14-5-1-2-6-15(14)22-20(28)24-11-9-23(10-12-24)19(25)18-13-26-16-7-3-4-8-17(16)27-18/h1-8,18H,9-13H2,(H,22,28)/t18-/m1/s1