1-[2-bromanyl-1-(3-cyanophenyl)-1-oxidanylidene-hexan-2-yl]urea

Systemtic Name: 1-[2-bromanyl-1-(3-cyanophenyl)-1-oxidanylidene-hexan-2-yl]urea Openeye Name: [1-bromo-1-(3-cyanobenzoyl)pentyl]urea CAS Name: [2-bromo-1-(3-cyanophenyl)-1-oxohexan-2-yl]urea IUPAC Name: [2-bromo-1-(3-cyanophenyl)-1-oxohexan-2-yl]urea Traditional Name: [1-bromo-1-(3-cyanobenzoyl)pentyl]urea Formula: C14H16BrN3O2 MolecularWeight: 338.19974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C1=CC=CC(=C1)C#N)(NC(=O)N)Br

Isomeric SMILES

CCCCC(C(=O)C1=CC=CC(=C1)C#N)(NC(=O)N)Br

InChI

InChI=1S/C14H16BrN3O2/c1-2-3-7-14(15,18-13(17)20)12(19)11-6-4-5-10(8-11)9-16/h4-6,8H,2-3,7H2,1H3,(H3,17,18,20)