N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[4-(3-pyridylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[4-(3-pyridylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC=C(O1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CSC=C(O1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H17N3O3S/c22-17(20-11-13-2-1-7-19-10-13)14-3-5-15(6-4-14)21-18(23)16-12-25-9-8-24-16/h1-7,10,12H,8-9,11H2,(H,20,22)(H,21,23)