3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-butyl-4-(4-cyclohexylphenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-butyl-4-(4-cyclohexylphenyl)-1,3-thiazol-2-imine Openeye Name: 3-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-N-butyl-4-(4-cyclohexylphenyl)thiazol-2-imine CAS Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-butyl-4-(4-cyclohexylphenyl)-2-thiazolimine IUPAC Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-butyl-4-(4-cyclohexylphenyl)-1,3-thiazol-2-imine Traditional Name: butyl-[4-(4-cyclohexylphenyl)-3-[(E)-piperonylideneamino]-4-thiazolin-2-ylidene]amine Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C(=CS1)C2=CC=C(C=C2)C3CCCCC3)N=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN=C1N(C(=CS1)C2=CC=C(C=C2)C3CCCCC3)/N=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H31N3O2S/c1-2-3-15-28-27-30(29-17-20-9-14-25-26(16-20)32-19-31-25)24(18-33-27)23-12-10-22(11-13-23)21-7-5-4-6-8-21/h9-14,16-18,21H,2-8,15,19H2,1H3/b28-27?,29-17+