3-[[4-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzoic acid hydrobromide

Systemtic Name: 3-[[4-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzoic acid hydrobromide Openeye Name: 3-[[4-(2-benzamido-4-methyl-thiazol-5-yl)thiazol-2-yl]amino]benzoic acid hydrobromide CAS Name: 3-[[4-(2-benzamido-4-methyl-5-thiazolyl)-2-thiazolyl]amino]benzoic acid hydrobromide IUPAC Name: 3-[[4-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzoic acid hydrobromide Traditional Name: 3-[[4-(2-benzamido-4-methyl-thiazol-5-yl)thiazol-2-yl]amino]benzoic acid hydrobromide Formula: C21H17BrN4O3S2 MolecularWeight: 517.41868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC=CC(=C4)C(=O)O.Br

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC=CC(=C4)C(=O)O.Br

InChI

InChI=1S/C21H16N4O3S2.BrH/c1-12-17(30-21(22-12)25-18(26)13-6-3-2-4-7-13)16-11-29-20(24-16)23-15-9-5-8-14(10-15)19(27)28;/h2-11H,1H3,(H,23,24)(H,27,28)(H,22,25,26);1H