N-[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]phenyl]-piperonylamide Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)SCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)SCC4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C23H17N3O4S/c27-22-12-17(24-21-3-1-2-10-26(21)22)13-31-18-7-5-16(6-8-18)25-23(28)15-4-9-19-20(11-15)30-14-29-19/h1-12H,13-14H2,(H,25,28)