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

Systemtic Name: 3-[5-[2-(2-octyldodecylcarbamoyl)hydrazinyl]-1,2,4-thiadiazol-3-yl]benzoic acid Openeye Name: 3-[5-[2-(2-octyldodecylcarbamoyl)hydrazino]-1,2,4-thiadiazol-3-yl]benzoic acid CAS Name: 3-[5-[[(2-octyldodecylamino)-oxomethyl]hydrazo]-1,2,4-thiadiazol-3-yl]benzoic acid IUPAC Name: 3-[5-[2-(2-octyldodecylcarbamoyl)hydrazinyl]-1,2,4-thiadiazol-3-yl]benzoic acid Traditional Name: 3-[5-[N'-(2-octyldodecylcarbamoyl)hydrazino]-1,2,4-thiadiazol-3-yl]benzoic acid Formula: C30H49N5O3S MolecularWeight: 559.80676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CNC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CNC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C30H49N5O3S/c1-3-5-7-9-11-12-14-16-19-24(18-15-13-10-8-6-4-2)23-31-29(38)33-34-30-32-27(35-39-30)25-20-17-21-26(22-25)28(36)37/h17,20-22,24H,3-16,18-19,23H2,1-2H3,(H,36,37)(H2,31,33,38)(H,32,34,35)