4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine

Systemtic Name: 4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine Openeye Name: N-allyl-4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-2-thiazolimine IUPAC Name: 4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine Traditional Name: allyl-[4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-2-ylidene]amine Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C1N(C(=CS1)C2=CC=C(C=C2)C3CCCCC3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C=CCN=C1N(C(=CS1)C2=CC=C(C=C2)C3CCCCC3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C26H26N4O4S/c1-2-12-27-26-29(28-15-21-13-24-25(34-17-33-24)14-22(21)30(31)32)23(16-35-26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h2,8-11,13-16,18H,1,3-7,12,17H2