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

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-phenethyl-1,3-thiazol-2-imine Openeye Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-N-phenethyl-thiazol-2-imine CAS Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-phenethyl-2-thiazolimine IUPAC Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-phenethyl-1,3-thiazol-2-imine Traditional Name: [4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-2-ylidene]-phenethyl-amine Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=NCCC3=CC=CC=C3)N2N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=NCCC3=CC=CC=C3)N2N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5)C

InChI

InChI=1S/C27H24N4O4S/c1-18-8-9-21(12-19(18)2)24-16-36-27(28-11-10-20-6-4-3-5-7-20)30(24)29-15-22-13-25-26(35-17-34-25)14-23(22)31(32)33/h3-9,12-16H,10-11,17H2,1-2H3