3-[5-[2-(3-nonoxypropylcarbamoyl)hydrazinyl]-1,2,4-thiadiazol-3-yl]benzoic acid

Systemtic Name: 3-[5-[2-(3-nonoxypropylcarbamoyl)hydrazinyl]-1,2,4-thiadiazol-3-yl]benzoic acid Openeye Name: 3-[5-[2-(3-nonoxypropylcarbamoyl)hydrazino]-1,2,4-thiadiazol-3-yl]benzoic acid CAS Name: 3-[5-[[(3-nonoxypropylamino)-oxomethyl]hydrazo]-1,2,4-thiadiazol-3-yl]benzoic acid IUPAC Name: 3-[5-[2-(3-nonoxypropylcarbamoyl)hydrazinyl]-1,2,4-thiadiazol-3-yl]benzoic acid Traditional Name: 3-[5-[N'-(3-nonoxypropylcarbamoyl)hydrazino]-1,2,4-thiadiazol-3-yl]benzoic acid Formula: C22H33N5O4S MolecularWeight: 463.59352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOCCCNC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCOCCCNC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C22H33N5O4S/c1-2-3-4-5-6-7-8-14-31-15-10-13-23-21(30)25-26-22-24-19(27-32-22)17-11-9-12-18(16-17)20(28)29/h9,11-12,16H,2-8,10,13-15H2,1H3,(H,28,29)(H2,23,25,30)(H,24,26,27)