N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(phenylmethylsulfanyl)methyl]benzamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(phenylmethylsulfanyl)methyl]benzamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-(benzylsulfanylmethyl)benzamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(phenylmethylthio)methyl]benzamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(benzylsulfanylmethyl)benzamide Traditional Name: 4-[(benzylthio)methyl]-N-[(E)-piperonylideneamino]benzamide Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)CSCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)CSCC4=CC=CC=C4

InChI

InChI=1S/C23H20N2O3S/c26-23(25-24-13-19-8-11-21-22(12-19)28-16-27-21)20-9-6-18(7-10-20)15-29-14-17-4-2-1-3-5-17/h1-13H,14-16H2,(H,25,26)/b24-13+