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

Systemtic Name: N-[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CSCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CSCCO4

InChI

InChI=1S/C21H22N4O3S/c26-20(18-15-29-14-13-28-18)23-17-6-4-16(5-7-17)21(27)25-11-9-24(10-12-25)19-3-1-2-8-22-19/h1-8,15H,9-14H2,(H,23,26)