butyl 4-[[2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[2-(4-fluoroanilino)-4-methyl-thiazole-5-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-fluoroanilino)-4-methyl-5-thiazolyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-fluoroanilino)-4-methyl-thiazole-5-carbonyl]amino]benzoic acid butyl ester Formula: C22H22FN3O3S MolecularWeight: 427.491783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H22FN3O3S/c1-3-4-13-29-21(28)15-5-9-17(10-6-15)25-20(27)19-14(2)24-22(30-19)26-18-11-7-16(23)8-12-18/h5-12H,3-4,13H2,1-2H3,(H,24,26)(H,25,27)