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

Systemtic Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]urea Openeye Name: 1-(2-bromophenyl)-3-[3-cyano-4-(4-isobutylphenyl)-5-methyl-2-thienyl]urea CAS Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-[4-(2-methylpropyl)phenyl]-2-thiophenyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]urea Traditional Name: 1-(2-bromophenyl)-3-[3-cyano-4-(4-isobutylphenyl)-5-methyl-2-thienyl]urea Formula: C23H22BrN3OS MolecularWeight: 468.40928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3OS/c1-14(2)12-16-8-10-17(11-9-16)21-15(3)29-22(18(21)13-25)27-23(28)26-20-7-5-4-6-19(20)24/h4-11,14H,12H2,1-3H3,(H2,26,27,28)