butyl 4-[2-[2-(prop-2-enylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-(prop-2-enylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(allylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[[oxo-(prop-2-enylamino)methyl]amino]-4-thiazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(prop-2-enylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(allylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NCC=C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NCC=C

InChI

InChI=1S/C20H24N4O4S/c1-3-5-11-28-18(26)14-6-8-15(9-7-14)22-17(25)12-16-13-29-20(23-16)24-19(27)21-10-4-2/h4,6-9,13H,2-3,5,10-12H2,1H3,(H,22,25)(H2,21,23,24,27)