1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-[2-(phenylmethylsulfanyl)ethyl]urea

Systemtic Name: 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-[2-(phenylmethylsulfanyl)ethyl]urea Openeye Name: 1-(2-benzylsulfanylethyl)-3-(2,6-dibromo-4-isopropyl-phenyl)urea CAS Name: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[2-(phenylmethylthio)ethyl]urea IUPAC Name: 1-(2-benzylsulfanylethyl)-3-(2,6-dibromo-4-propan-2-ylphenyl)urea Traditional Name: 1-[2-(benzylthio)ethyl]-3-(2,6-dibromo-4-isopropyl-phenyl)urea Formula: C19H22Br2N2OS MolecularWeight: 486.26378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NCCSCC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NCCSCC2=CC=CC=C2)Br

InChI

InChI=1S/C19H22Br2N2OS/c1-13(2)15-10-16(20)18(17(21)11-15)23-19(24)22-8-9-25-12-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,22,23,24)