1-(2-bromophenyl)-3-[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]urea Openeye Name: 1-(2-bromophenyl)-3-[4-(4-butylphenyl)-5-methyl-thiazol-2-yl]urea CAS Name: 1-(2-bromophenyl)-3-[4-(4-butylphenyl)-5-methyl-2-thiazolyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]urea Traditional Name: 1-(2-bromophenyl)-3-[4-(4-butylphenyl)-5-methyl-thiazol-2-yl]urea Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)NC3=CC=CC=C3Br)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)NC3=CC=CC=C3Br)C

InChI

InChI=1S/C21H22BrN3OS/c1-3-4-7-15-10-12-16(13-11-15)19-14(2)27-21(24-19)25-20(26)23-18-9-6-5-8-17(18)22/h5-6,8-13H,3-4,7H2,1-2H3,(H2,23,24,25,26)