4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-5-iodanyl-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-5-iodanyl-1,3-dihydrobenzimidazol-2-one Openeye Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-5-iodo-1,3-dihydrobenzimidazol-2-one CAS Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-5-iodo-1,3-dihydrobenzimidazol-2-one IUPAC Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-5-iodo-1,3-dihydrobenzimidazol-2-one Traditional Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-5-iodo-1,3-dihydrobenzimidazol-2-one Formula: C14H20IN3O3 MolecularWeight: 405.23137

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=CC2=C1NC(=O)N2)I)O

Isomeric SMILES

CC(C)(C)NC[C@@H](COC1=C(C=CC2=C1NC(=O)N2)I)O

InChI

InChI=1S/C14H20IN3O3/c1-14(2,3)16-6-8(19)7-21-12-9(15)4-5-10-11(12)18-13(20)17-10/h4-5,8,16,19H,6-7H2,1-3H3,(H2,17,18,20)/t8-/m0/s1