N-[2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[2-methyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[2-methyl-5-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[2-methyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)NC(=O)C4=CSCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)NC(=O)C4=CSCCO4

InChI

InChI=1S/C22H24N4O3S/c1-16-5-6-17(14-18(16)24-21(27)19-15-30-13-12-29-19)22(28)26-10-8-25(9-11-26)20-4-2-3-7-23-20/h2-7,14-15H,8-13H2,1H3,(H,24,27)