1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]urea Openeye Name: 1-(2-bromophenyl)-3-[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]urea CAS Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]urea Traditional Name: 1-(2-bromophenyl)-3-(3-cyano-5-methyl-4-p-cumenyl-2-thienyl)urea Formula: C22H20BrN3OS MolecularWeight: 454.3827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)NC2=CC=CC=C2Br)C#N)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)NC2=CC=CC=C2Br)C#N)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H20BrN3OS/c1-13(2)15-8-10-16(11-9-15)20-14(3)28-21(17(20)12-24)26-22(27)25-19-7-5-4-6-18(19)23/h4-11,13H,1-3H3,(H2,25,26,27)