N-(3-iodanylphenyl)-2-[13-(oxolan-2-yl)tridecylamino]-5-propyl-4,5-dihydroimidazole-1-carbothioamide

Systemtic Name: N-(3-iodanylphenyl)-2-[13-(oxolan-2-yl)tridecylamino]-5-propyl-4,5-dihydroimidazole-1-carbothioamide Openeye Name: N-(3-iodophenyl)-5-propyl-2-(13-tetrahydrofuran-2-yltridecylamino)-4,5-dihydroimidazole-1-carbothioamide CAS Name: N-(3-iodophenyl)-2-[13-(2-oxolanyl)tridecylamino]-5-propyl-4,5-dihydroimidazole-1-carbothioamide IUPAC Name: N-(3-iodophenyl)-2-[13-(oxolan-2-yl)tridecylamino]-5-propyl-4,5-dihydroimidazole-1-carbothioamide Traditional Name: N-(3-iodophenyl)-5-propyl-2-[13-(tetrahydrofuryl)tridecylamino]-2-imidazoline-1-carbothioamide Formula: C30H49IN4OS MolecularWeight: 640.70573

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN=C(N1C(=S)NC2=CC(=CC=C2)I)NCCCCCCCCCCCCCC3CCCO3

Isomeric SMILES

CCCC1CN=C(N1C(=S)NC2=CC(=CC=C2)I)NCCCCCCCCCCCCCC3CCCO3

InChI

InChI=1S/C30H49IN4OS/c1-2-16-27-24-33-29(35(27)30(37)34-26-18-14-17-25(31)23-26)32-21-13-11-9-7-5-3-4-6-8-10-12-19-28-20-15-22-36-28/h14,17-18,23,27-28H,2-13,15-16,19-22,24H2,1H3,(H,32,33)(H,34,37)