1-(5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophen-3-yl)-3-[4-(trifluoromethyloxy)phenyl]urea

Systemtic Name: 1-(5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophen-3-yl)-3-[4-(trifluoromethyloxy)phenyl]urea Openeye Name: 1-(4-isopropylsulfonyl-5-methylsulfanyl-3-thienyl)-3-[4-(trifluoromethoxy)phenyl]urea CAS Name: 1-[5-(methylthio)-4-propan-2-ylsulfonyl-3-thiophenyl]-3-[4-(trifluoromethoxy)phenyl]urea IUPAC Name: 1-(5-methylsulfanyl-4-propan-2-ylsulfonylthiophen-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea Traditional Name: 1-[4-isopropylsulfonyl-5-(methylthio)-3-thienyl]-3-[4-(trifluoromethoxy)phenyl]urea Formula: C16H17F3N2O4S3 MolecularWeight: 454.50739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(SC=C1NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(SC=C1NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)SC

InChI

InChI=1S/C16H17F3N2O4S3/c1-9(2)28(23,24)13-12(8-27-14(13)26-3)21-15(22)20-10-4-6-11(7-5-10)25-16(17,18)19/h4-9H,1-3H3,(H2,20,21,22)