hexadecyl 4-chloranyl-3-[[(1,3-dimethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate

Systemtic Name: hexadecyl 4-chloranyl-3-[[(1,3-dimethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate Openeye Name: hexadecyl 4-chloro-3-[[(1,3-dimethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate CAS Name: 4-chloro-3-[[[2-(1,3-dimethyl-2-benzimidazolylidene)hydrazinyl]-oxomethyl]amino]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-chloro-3-[[(1,3-dimethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate Traditional Name: 4-chloro-3-[[(1,3-dimethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoic acid cetyl ester Formula: C33H48ClN5O3 MolecularWeight: 598.21892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NN=C2N(C3=CC=CC=C3N2C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NN=C2N(C3=CC=CC=C3N2C)C

InChI

InChI=1S/C33H48ClN5O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-42-31(40)26-22-23-27(34)28(25-26)35-32(41)36-37-33-38(2)29-20-17-18-21-30(29)39(33)3/h17-18,20-23,25H,4-16,19,24H2,1-3H3,(H2,35,36,41)