1-[2-(1-butylimidazol-4-yl)ethyl]-3-[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]urea

Systemtic Name: 1-[2-(1-butylimidazol-4-yl)ethyl]-3-[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]urea Openeye Name: 1-[2-(1-butylimidazol-4-yl)ethyl]-3-[5-(3-fluoro-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]urea CAS Name: 1-[2-(1-butyl-4-imidazolyl)ethyl]-3-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-2-thiazolyl]urea IUPAC Name: 1-[2-(1-butylimidazol-4-yl)ethyl]-3-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]urea Traditional Name: 1-[2-(1-butylimidazol-4-yl)ethyl]-3-[5-(3-fluoro-4-mesyl-phenyl)-4-methyl-thiazol-2-yl]urea Formula: C21H26FN5O3S2 MolecularWeight: 479.591243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(N=C1)CCNC(=O)NC2=NC(=C(S2)C3=CC(=C(C=C3)S(=O)(=O)C)F)C

Isomeric SMILES

CCCCN1C=C(N=C1)CCNC(=O)NC2=NC(=C(S2)C3=CC(=C(C=C3)S(=O)(=O)C)F)C

InChI

InChI=1S/C21H26FN5O3S2/c1-4-5-10-27-12-16(24-13-27)8-9-23-20(28)26-21-25-14(2)19(31-21)15-6-7-18(17(22)11-15)32(3,29)30/h6-7,11-13H,4-5,8-10H2,1-3H3,(H2,23,25,26,28)