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

Systemtic Name: 4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine Openeye Name: 4-(4-cyclohexylphenyl)-N-isopropyl-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-propan-2-yl-2-thiazolimine IUPAC Name: 4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine Traditional Name: [4-(4-cyclohexylphenyl)-2-isopropylimino-4-thiazolin-3-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O4S/c1-17(2)28-26-29(27-14-21-12-24-25(34-16-33-24)13-22(21)30(31)32)23(15-35-26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-15,17-18H,3-7,16H2,1-2H3