3-[[2-oxidanylidene-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoic acid

Systemtic Name: 3-[[2-oxidanylidene-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoic acid Openeye Name: 3-[[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoic acid CAS Name: 3-[[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoic acid Traditional Name: 3-[[2-keto-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoic acid Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)CNC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)CNC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H16N4O3S/c1-2-4-12-17-18-14(22-12)16-11(19)8-15-10-6-3-5-9(7-10)13(20)21/h3,5-7,15H,2,4,8H2,1H3,(H,20,21)(H,16,18,19)