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

Systemtic Name: 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-iodanyl-6-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]-2-iodo-6-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxy-phenoxy]methyl]benzonitrile Formula: C31H34IN3O3S MolecularWeight: 655.58943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=NC3CCCCC3)S2)C4CCCCC4)I)OCC5=CC=CC=C5C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=NC3CCCCC3)S2)C4CCCCC4)I)OCC5=CC=CC=C5C#N

InChI

InChI=1S/C31H34IN3O3S/c1-37-27-17-21(16-26(32)29(27)38-20-23-11-9-8-10-22(23)19-33)18-28-30(36)35(25-14-6-3-7-15-25)31(39-28)34-24-12-4-2-5-13-24/h8-11,16-18,24-25H,2-7,12-15,20H2,1H3