1-[1-[1-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-isocyanato-3-oxidanylidene-propan-2-yl]piperidin-4-yl]urea

Systemtic Name: 1-[1-[1-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-isocyanato-3-oxidanylidene-propan-2-yl]piperidin-4-yl]urea Openeye Name: [1-[1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-1-isocyanato-2-oxo-ethyl]-4-piperidyl]urea CAS Name: [1-[1-(3,5-dibromo-4-hydroxyphenyl)-2-isocyanato-3-oxopropan-2-yl]-4-piperidinyl]urea IUPAC Name: [1-[1-(3,5-dibromo-4-hydroxyphenyl)-2-isocyanato-3-oxopropan-2-yl]piperidin-4-yl]urea Traditional Name: [1-[1-(3,5-dibromo-4-hydroxy-benzyl)-1-isocyanato-2-keto-ethyl]-4-piperidyl]urea Formula: C16H18Br2N4O4 MolecularWeight: 490.14652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)N)C(CC2=CC(=C(C(=C2)Br)O)Br)(C=O)N=C=O

Isomeric SMILES

C1CN(CCC1NC(=O)N)C(CC2=CC(=C(C(=C2)Br)O)Br)(C=O)N=C=O

InChI

InChI=1S/C16H18Br2N4O4/c17-12-5-10(6-13(18)14(12)25)7-16(8-23,20-9-24)22-3-1-11(2-4-22)21-15(19)26/h5-6,8,11,25H,1-4,7H2,(H3,19,21,26)