2-[(3-cyano-5-ethyl-4-hexoxy-phenyl)amino]-N-(3-iodanylphenyl)-4,5-dihydroimidazole-1-carbothioamide

Systemtic Name: 2-[(3-cyano-5-ethyl-4-hexoxy-phenyl)amino]-N-(3-iodanylphenyl)-4,5-dihydroimidazole-1-carbothioamide Openeye Name: 2-(3-cyano-5-ethyl-4-hexoxy-anilino)-N-(3-iodophenyl)-4,5-dihydroimidazole-1-carbothioamide CAS Name: 2-(3-cyano-5-ethyl-4-hexoxyanilino)-N-(3-iodophenyl)-4,5-dihydroimidazole-1-carbothioamide IUPAC Name: 2-(3-cyano-5-ethyl-4-hexoxyanilino)-N-(3-iodophenyl)-4,5-dihydroimidazole-1-carbothioamide Traditional Name: 2-(3-cyano-5-ethyl-4-hexoxy-anilino)-N-(3-iodophenyl)-2-imidazoline-1-carbothioamide Formula: C25H30IN5OS MolecularWeight: 575.50807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1C#N)NC2=NCCN2C(=S)NC3=CC(=CC=C3)I)CC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1C#N)NC2=NCCN2C(=S)NC3=CC(=CC=C3)I)CC

InChI

InChI=1S/C25H30IN5OS/c1-3-5-6-7-13-32-23-18(4-2)14-22(15-19(23)17-27)29-24-28-11-12-31(24)25(33)30-21-10-8-9-20(26)16-21/h8-10,14-16H,3-7,11-13H2,1-2H3,(H,28,29)(H,30,33)