N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(phenylmethyl)-1,3-benzothiazol-2-imine

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(phenylmethyl)-1,3-benzothiazol-2-imine Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-benzyl-1,3-benzothiazol-2-imine CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(phenylmethyl)-1,3-benzothiazol-2-imine IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-benzyl-1,3-benzothiazol-2-imine Traditional Name: (Z)-(3-benzyl-1,3-benzothiazol-2-ylidene)-[(E)-piperonylideneamino]amine Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN=C3N(C4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/N=C\3/N(C4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C22H17N3O2S/c1-2-6-16(7-3-1)14-25-18-8-4-5-9-21(18)28-22(25)24-23-13-17-10-11-19-20(12-17)27-15-26-19/h1-13H,14-15H2/b23-13+,24-22-