3-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyclohexylphenyl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyclohexylphenyl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyclohexylphenyl)-N-(2-nitrophenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyclohexylphenyl)-N-(2-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyclohexylphenyl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: [4-(4-cyclohexylphenyl)-3-piperonyl-4-thiazolin-2-ylidene]-(2-nitrophenyl)amine Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=CSC(=NC4=CC=CC=C4[N+](=O)[O-])N3CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=CSC(=NC4=CC=CC=C4[N+](=O)[O-])N3CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H27N3O4S/c33-32(34)25-9-5-4-8-24(25)30-29-31(17-20-10-15-27-28(16-20)36-19-35-27)26(18-37-29)23-13-11-22(12-14-23)21-6-2-1-3-7-21/h4-5,8-16,18,21H,1-3,6-7,17,19H2