N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]amino]-piperonylamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)CSC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)CSC4=CC=CC=N4

InChI

InChI=1S/C22H19N3O4S/c1-27-18-7-5-15(10-17(18)13-30-21-4-2-3-9-23-21)12-24-25-22(26)16-6-8-19-20(11-16)29-14-28-19/h2-12H,13-14H2,1H3,(H,25,26)/b24-12+