hexadecyl 4-chloranyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]carbamoylamino]benzoate

Systemtic Name: hexadecyl 4-chloranyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]carbamoylamino]benzoate Openeye Name: hexadecyl 4-chloro-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]carbamoylamino]benzoate CAS Name: 4-chloro-3-[[[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazo]-oxomethyl]amino]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-chloro-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]carbamoylamino]benzoate Traditional Name: 4-chloro-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]carbamoylamino]benzoic acid cetyl ester Formula: C27H42ClN5O3S MolecularWeight: 552.17208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NNC2=NC(=NS2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NNC2=NC(=NS2)C

InChI

InChI=1S/C27H42ClN5O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36-25(34)22-17-18-23(28)24(20-22)30-26(35)31-32-27-29-21(2)33-37-27/h17-18,20H,3-16,19H2,1-2H3,(H,29,32,33)(H2,30,31,35)