N-[(E)-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]hexanamide

Systemtic Name: N-[(E)-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]hexanamide Openeye Name: N-[(E)-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methyleneamino]hexanamide CAS Name: N-[(E)-[3-[(1,3-benzoxazol-2-ylthio)methyl]-4-methoxyphenyl]methylideneamino]hexanamide IUPAC Name: N-[(E)-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]hexanamide Traditional Name: N-[(E)-[3-[(1,3-benzoxazol-2-ylthio)methyl]-4-methoxy-benzylidene]amino]hexanamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NN=CC1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H25N3O3S/c1-3-4-5-10-21(26)25-23-14-16-11-12-19(27-2)17(13-16)15-29-22-24-18-8-6-7-9-20(18)28-22/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,25,26)/b23-14+