methyl 3-[5-[2-(2-octyldodecylcarbamoyl)hydrazinyl]-1,2,4-thiadiazol-3-yl]benzoate

Systemtic Name: methyl 3-[5-[2-(2-octyldodecylcarbamoyl)hydrazinyl]-1,2,4-thiadiazol-3-yl]benzoate Openeye Name: methyl 3-[5-[2-(2-octyldodecylcarbamoyl)hydrazino]-1,2,4-thiadiazol-3-yl]benzoate CAS Name: 3-[5-[[(2-octyldodecylamino)-oxomethyl]hydrazo]-1,2,4-thiadiazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[5-[2-(2-octyldodecylcarbamoyl)hydrazinyl]-1,2,4-thiadiazol-3-yl]benzoate Traditional Name: 3-[5-[N'-(2-octyldodecylcarbamoyl)hydrazino]-1,2,4-thiadiazol-3-yl]benzoic acid methyl ester Formula: C31H51N5O3S MolecularWeight: 573.83334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H51N5O3S/c1-4-6-8-10-12-13-15-17-20-25(19-16-14-11-9-7-5-2)24-32-30(38)34-35-31-33-28(36-40-31)26-21-18-22-27(23-26)29(37)39-3/h18,21-23,25H,4-17,19-20,24H2,1-3H3,(H2,32,34,38)(H,33,35,36)