1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-methyl-1,2-benzoxazol-7-yl]-1-phenyl-urea

Systemtic Name: 1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-methyl-1,2-benzoxazol-7-yl]-1-phenyl-urea Openeye Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-methyl-1,2-benzoxazol-7-yl]-1-phenyl-urea CAS Name: 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methyl-1,2-benzoxazol-7-yl]-1-phenylurea IUPAC Name: 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methyl-1,2-benzoxazol-7-yl]-1-phenylurea Traditional Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-methyl-indoxazen-7-yl]-1-phenyl-urea Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=C(C=CC(=C12)OCC(CNC(C)(C)C)O)N(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=NOC2=C(C=CC(=C12)OCC(CNC(C)(C)C)O)N(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H28N4O4/c1-14-19-18(29-13-16(27)12-24-22(2,3)4)11-10-17(20(19)30-25-14)26(21(23)28)15-8-6-5-7-9-15/h5-11,16,24,27H,12-13H2,1-4H3,(H2,23,28)