N-(3-bromophenyl)-5-ethyl-2-(pyridin-4-ylamino)-4,5-dihydroimidazole-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-5-ethyl-2-(pyridin-4-ylamino)-4,5-dihydroimidazole-1-carbothioamide Openeye Name: N-(3-bromophenyl)-5-ethyl-2-(4-pyridylamino)-4,5-dihydroimidazole-1-carbothioamide CAS Name: N-(3-bromophenyl)-5-ethyl-2-(pyridin-4-ylamino)-4,5-dihydroimidazole-1-carbothioamide IUPAC Name: N-(3-bromophenyl)-5-ethyl-2-(pyridin-4-ylamino)-4,5-dihydroimidazole-1-carbothioamide Traditional Name: N-(3-bromophenyl)-5-ethyl-2-(4-pyridylamino)-2-imidazoline-1-carbothioamide Formula: C17H18BrN5S MolecularWeight: 404.32732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN=C(N1C(=S)NC2=CC(=CC=C2)Br)NC3=CC=NC=C3

Isomeric SMILES

CCC1CN=C(N1C(=S)NC2=CC(=CC=C2)Br)NC3=CC=NC=C3

InChI

InChI=1S/C17H18BrN5S/c1-2-15-11-20-16(21-13-6-8-19-9-7-13)23(15)17(24)22-14-5-3-4-12(18)10-14/h3-10,15H,2,11H2,1H3,(H,22,24)(H,19,20,21)