5-acetamido-2-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-[3-(propan-2-ylamino)propyl]imidazole-4-carboxamide

Systemtic Name: 5-acetamido-2-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-[3-(propan-2-ylamino)propyl]imidazole-4-carboxamide Openeye Name: 5-acetamido-2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-1-[3-(isopropylamino)propyl]imidazole-4-carboxamide CAS Name: 5-acetamido-2-[(6-iodo-1,3-benzodioxol-5-yl)thio]-1-[3-(propan-2-ylamino)propyl]-4-imidazolecarboxamide IUPAC Name: 5-acetamido-2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-1-[3-(propan-2-ylamino)propyl]imidazole-4-carboxamide Traditional Name: 5-acetamido-2-[(6-iodo-1,3-benzodioxol-5-yl)thio]-1-[3-(isopropylamino)propyl]imidazole-4-carboxamide Formula: C19H24IN5O4S MolecularWeight: 545.39443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCN1C(=C(N=C1SC2=C(C=C3C(=C2)OCO3)I)C(=O)N)NC(=O)C

Isomeric SMILES

CC(C)NCCCN1C(=C(N=C1SC2=C(C=C3C(=C2)OCO3)I)C(=O)N)NC(=O)C

InChI

InChI=1S/C19H24IN5O4S/c1-10(2)22-5-4-6-25-18(23-11(3)26)16(17(21)27)24-19(25)30-15-8-14-13(7-12(15)20)28-9-29-14/h7-8,10,22H,4-6,9H2,1-3H3,(H2,21,27)(H,23,26)