N-[3-[4-(2-fluorophenyl)piperazin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=CC=C3)NC(=O)C4=CSCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=CC=C3)NC(=O)C4=CSCCO4

InChI

InChI=1S/C22H22FN3O3S/c23-18-6-1-2-7-19(18)25-8-10-26(11-9-25)22(28)16-4-3-5-17(14-16)24-21(27)20-15-30-13-12-29-20/h1-7,14-15H,8-13H2,(H,24,27)