2-[[5-bromanyl-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[5-bromanyl-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[5-bromo-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[5-bromo-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]-2-ethoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[5-bromo-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[5-bromo-4-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzonitrile Formula: C32H36BrN3O3S MolecularWeight: 622.61554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=O)N(C(=NC3CCCCC3)S2)C4CCCCC4)Br)OCC5=CC=CC=C5C#N

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C2C(=O)N(C(=NC3CCCCC3)S2)C4CCCCC4)Br)OCC5=CC=CC=C5C#N

InChI

InChI=1S/C32H36BrN3O3S/c1-2-38-28-17-24(27(33)19-29(28)39-21-23-12-10-9-11-22(23)20-34)18-30-31(37)36(26-15-7-4-8-16-26)32(40-30)35-25-13-5-3-6-14-25/h9-12,17-19,25-26H,2-8,13-16,21H2,1H3