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

Systemtic Name: butyl 4-[2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(cyclopentylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[[(cyclopentylamino)-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(cyclopentylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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)NC3CCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NC3CCCC3

InChI

InChI=1S/C22H28N4O4S/c1-2-3-12-30-20(28)15-8-10-17(11-9-15)23-19(27)13-18-14-31-22(25-18)26-21(29)24-16-6-4-5-7-16/h8-11,14,16H,2-7,12-13H2,1H3,(H,23,27)(H2,24,25,26,29)