2-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-methyl-5-(phenethylamino)imidazole-4-carboxamide

Systemtic Name: 2-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-methyl-5-(phenethylamino)imidazole-4-carboxamide Openeye Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-1-methyl-5-(phenethylamino)imidazole-4-carboxamide CAS Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)thio]-1-methyl-5-(phenethylamino)-4-imidazolecarboxamide IUPAC Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-1-methyl-5-(phenethylamino)imidazole-4-carboxamide Traditional Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)thio]-1-methyl-5-(phenethylamino)imidazole-4-carboxamide Formula: C20H19IN4O3S MolecularWeight: 522.35933

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1SC2=C(C=C3C(=C2)OCO3)I)C(=O)N)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(N=C1SC2=C(C=C3C(=C2)OCO3)I)C(=O)N)NCCC4=CC=CC=C4

InChI

InChI=1S/C20H19IN4O3S/c1-25-19(23-8-7-12-5-3-2-4-6-12)17(18(22)26)24-20(25)29-16-10-15-14(9-13(16)21)27-11-28-15/h2-6,9-10,23H,7-8,11H2,1H3,(H2,22,26)