2-(2-ethylhexylamino)-N-(3-iodanylphenyl)-4,5-diphenyl-4,5-dihydroimidazole-1-carbothioamide

Systemtic Name: 2-(2-ethylhexylamino)-N-(3-iodanylphenyl)-4,5-diphenyl-4,5-dihydroimidazole-1-carbothioamide Openeye Name: 2-(2-ethylhexylamino)-N-(3-iodophenyl)-4,5-diphenyl-4,5-dihydroimidazole-1-carbothioamide CAS Name: 2-(2-ethylhexylamino)-N-(3-iodophenyl)-4,5-diphenyl-4,5-dihydroimidazole-1-carbothioamide IUPAC Name: 2-(2-ethylhexylamino)-N-(3-iodophenyl)-4,5-diphenyl-4,5-dihydroimidazole-1-carbothioamide Traditional Name: 2-(2-ethylhexylamino)-N-(3-iodophenyl)-4,5-diphenyl-2-imidazoline-1-carbothioamide Formula: C30H35IN4S MolecularWeight: 610.59517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(C(N1C(=S)NC2=CC(=CC=C2)I)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC(CC)CNC1=NC(C(N1C(=S)NC2=CC(=CC=C2)I)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H35IN4S/c1-3-5-13-22(4-2)21-32-29-34-27(23-14-8-6-9-15-23)28(24-16-10-7-11-17-24)35(29)30(36)33-26-19-12-18-25(31)20-26/h6-12,14-20,22,27-28H,3-5,13,21H2,1-2H3,(H,32,34)(H,33,36)