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

Systemtic Name: 2-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-methyl-5-(2-phenylethanoylamino)imidazole-4-carboxamide Openeye Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-1-methyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxamide CAS Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)thio]-1-methyl-5-[(1-oxo-2-phenylethyl)amino]-4-imidazolecarboxamide IUPAC Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-1-methyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxamide Traditional Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)thio]-1-methyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxamide Formula: C20H17IN4O4S MolecularWeight: 536.34285

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1SC2=C(C=C3C(=C2)OCO3)I)C(=O)N)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(N=C1SC2=C(C=C3C(=C2)OCO3)I)C(=O)N)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H17IN4O4S/c1-25-19(23-16(26)7-11-5-3-2-4-6-11)17(18(22)27)24-20(25)30-15-9-14-13(8-12(15)21)28-10-29-14/h2-6,8-9H,7,10H2,1H3,(H2,22,27)(H,23,26)