2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxy-6-iodanyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxy-6-iodanyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]-2-ethoxy-6-iodo-phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]-2-ethoxy-6-iodophenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxy-6-iodophenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]-2-ethoxy-6-iodo-phenoxy]methyl]benzonitrile Formula: C32H36IN3O3S MolecularWeight: 669.61601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H36IN3O3S/c1-2-38-28-18-22(17-27(33)30(28)39-21-24-12-10-9-11-23(24)20-34)19-29-31(37)36(26-15-7-4-8-16-26)32(40-29)35-25-13-5-3-6-14-25/h9-12,17-19,25-26H,2-8,13-16,21H2,1H3