(2E,4E,6E,8E)-9-(3-imidazol-1-yl-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-N-(3-sulfanylphenyl)nona-2,4,6,8-tetraenamide

Systemtic Name: (2E,4E,6E,8E)-9-(3-imidazol-1-yl-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-N-(3-sulfanylphenyl)nona-2,4,6,8-tetraenamide Openeye Name: (2E,4E,6E,8E)-9-(3-imidazol-1-yl-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-N-(3-sulfanylphenyl)nona-2,4,6,8-tetraenamide CAS Name: (2E,4E,6E,8E)-9-[3-(1-imidazolyl)-2,6,6-trimethyl-1-cyclohexenyl]-N-(3-mercaptophenyl)-3,7-dimethylnona-2,4,6,8-tetraenamide IUPAC Name: (2E,4E,6E,8E)-9-(3-imidazol-1-yl-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethyl-N-(3-sulfanylphenyl)nona-2,4,6,8-tetraenamide Traditional Name: (2E,4E,6E,8E)-9-(3-imidazol-1-yl-2,6,6-trimethyl-cyclohexen-1-yl)-N-(3-mercaptophenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenamide Formula: C29H35N3OS MolecularWeight: 473.6727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1N2C=CN=C2)(C)C)C=CC(=CC=CC(=CC(=O)NC3=CC(=CC=C3)S)C)C

Isomeric SMILES

CC1=C(C(CCC1N2C=CN=C2)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC3=CC(=CC=C3)S)/C)/C

InChI

InChI=1S/C29H35N3OS/c1-21(8-6-9-22(2)18-28(33)31-24-10-7-11-25(34)19-24)12-13-26-23(3)27(14-15-29(26,4)5)32-17-16-30-20-32/h6-13,16-20,27,34H,14-15H2,1-5H3,(H,31,33)/b9-6+,13-12+,21-8+,22-18+