3-(1,3-benzodioxol-5-ylmethylideneamino)-N-cyclohexyl-4-(3-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-N-cyclohexyl-4-(3-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyleneamino)-N-cyclohexyl-4-(3-nitrophenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-N-cyclohexyl-4-(3-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-N-cyclohexyl-4-(3-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: cyclohexyl-[4-(3-nitrophenyl)-3-(piperonylideneamino)-4-thiazolin-2-ylidene]amine Formula: C23H22N4O4S MolecularWeight: 450.51018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])N=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])N=CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N4O4S/c28-27(29)19-8-4-5-17(12-19)20-14-32-23(25-18-6-2-1-3-7-18)26(20)24-13-16-9-10-21-22(11-16)31-15-30-21/h4-5,8-14,18H,1-3,6-7,15H2