6-(1,3-benzothiazol-2-yl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]cyclohex-3-ene-1-carboxamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]cyclohex-3-ene-1-carboxamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]cyclohex-3-ene-1-carboxamide Formula: C24H25N3O5S MolecularWeight: 467.5374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H25N3O5S/c1-31-20-13-15(19(27(29)30)14-21(20)32-2)11-12-25-23(28)16-7-3-4-8-17(16)24-26-18-9-5-6-10-22(18)33-24/h3-6,9-10,13-14,16-17H,7-8,11-12H2,1-2H3,(H,25,28)