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

Systemtic Name: 3-[(2-bromophenyl)carbamoyl]-1-butyl-1-methylsulfonyl-urea Openeye Name: 3-[(2-bromophenyl)carbamoyl]-1-butyl-1-methylsulfonyl-urea CAS Name: 3-[(2-bromoanilino)-oxomethyl]-1-butyl-1-methylsulfonylurea IUPAC Name: 3-[(2-bromophenyl)carbamoyl]-1-butyl-1-methylsulfonylurea Traditional Name: 3-[(2-bromophenyl)carbamoyl]-1-butyl-1-mesyl-urea Formula: C13H18BrN3O4S MolecularWeight: 392.26872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)NC(=O)NC1=CC=CC=C1Br)S(=O)(=O)C

Isomeric SMILES

CCCCN(C(=O)NC(=O)NC1=CC=CC=C1Br)S(=O)(=O)C

InChI

InChI=1S/C13H18BrN3O4S/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)