dodecyl 4-chloranyl-3-[[(1,3-diethylimidazolidin-2-ylidene)amino]carbamoylamino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[[(1,3-diethylimidazolidin-2-ylidene)amino]carbamoylamino]benzoate Openeye Name: dodecyl 4-chloro-3-[[(1,3-diethylimidazolidin-2-ylidene)amino]carbamoylamino]benzoate CAS Name: 4-chloro-3-[[[2-(1,3-diethyl-2-imidazolidinylidene)hydrazinyl]-oxomethyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[(1,3-diethylimidazolidin-2-ylidene)amino]carbamoylamino]benzoate Traditional Name: 4-chloro-3-[[(1,3-diethylimidazolidin-2-ylidene)amino]carbamoylamino]benzoic acid lauryl ester Formula: C27H44ClN5O3 MolecularWeight: 522.12296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NN=C2N(CCN2CC)CC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NN=C2N(CCN2CC)CC

InChI

InChI=1S/C27H44ClN5O3/c1-4-7-8-9-10-11-12-13-14-15-20-36-25(34)22-16-17-23(28)24(21-22)29-26(35)30-31-27-32(5-2)18-19-33(27)6-3/h16-17,21H,4-15,18-20H2,1-3H3,(H2,29,30,35)