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

Systemtic Name: 4-(4-cyclohexylphenyl)-N-(2-methylprop-2-enyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Openeye Name: 4-(4-cyclohexylphenyl)-N-(2-methylallyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(4-cyclohexylphenyl)-N-(2-methylprop-2-enyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiazolimine IUPAC Name: 4-(4-cyclohexylphenyl)-N-(2-methylprop-2-enyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Traditional Name: [4-(4-cyclohexylphenyl)-2-(2-methylallylimino)-4-thiazolin-3-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4S/c1-18(2)14-28-27-30(29-15-22-12-25-26(35-17-34-25)13-23(22)31(32)33)24(16-36-27)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-13,15-16,19H,1,3-7,14,17H2,2H3