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

Systemtic Name: 3-[[2-oxidanylidene-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoate Openeye Name: 3-[[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoate CAS Name: 3-[[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoate IUPAC Name: 3-[[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoate Traditional Name: 3-[[2-keto-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]amino]benzoate Formula: C14H15N4O3S- MolecularWeight: 319.3589

Click to see the large picture

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)/p-1