1-butyl-3-[(2-iodanylphenyl)carbamoyl]-1-methylsulfonyl-urea

Systemtic Name: 1-butyl-3-[(2-iodanylphenyl)carbamoyl]-1-methylsulfonyl-urea Openeye Name: 1-butyl-3-[(2-iodophenyl)carbamoyl]-1-methylsulfonyl-urea CAS Name: 1-butyl-3-[(2-iodoanilino)-oxomethyl]-1-methylsulfonylurea IUPAC Name: 1-butyl-3-[(2-iodophenyl)carbamoyl]-1-methylsulfonylurea Traditional Name: 1-butyl-3-[(2-iodophenyl)carbamoyl]-1-mesyl-urea Formula: C13H18IN3O4S MolecularWeight: 439.26919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)NC(=O)NC1=CC=CC=C1I)S(=O)(=O)C

Isomeric SMILES

CCCCN(C(=O)NC(=O)NC1=CC=CC=C1I)S(=O)(=O)C

InChI

InChI=1S/C13H18IN3O4S/c1-3-4-9-17(22(2,20)21)13(19)16-12(18)15-11-8-6-5-7-10(11)14/h5-8H,3-4,9H2,1-2H3,(H2,15,16,18,19)