4-[[4-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: 4-[[4-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazol-2-yl]amino]benzoate Openeye Name: 4-[[4-[4-(2-methylpropanoylamino)phenyl]thiazol-2-yl]amino]benzoate CAS Name: 4-[[4-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-thiazolyl]amino]benzoate IUPAC Name: 4-[[4-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[4-[4-(isobutyrylamino)phenyl]thiazol-2-yl]amino]benzoate Formula: C20H18N3O3S- MolecularWeight: 380.44022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-12(2)18(24)21-15-7-3-13(4-8-15)17-11-27-20(23-17)22-16-9-5-14(6-10-16)19(25)26/h3-12H,1-2H3,(H,21,24)(H,22,23)(H,25,26)/p-1