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

Systemtic Name: dodecyl 4-chloranyl-3-[[(1,3-diethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate Openeye Name: dodecyl 4-chloro-3-[[(1,3-diethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate CAS Name: 4-chloro-3-[[[2-(1,3-diethyl-2-benzimidazolylidene)hydrazinyl]-oxomethyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[(1,3-diethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate Traditional Name: 4-chloro-3-[[(1,3-diethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoic acid lauryl ester Formula: C31H44ClN5O3 MolecularWeight: 570.16576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NN=C2N(C3=CC=CC=C3N2CC)CC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NN=C2N(C3=CC=CC=C3N2CC)CC

InChI

InChI=1S/C31H44ClN5O3/c1-4-7-8-9-10-11-12-13-14-17-22-40-29(38)24-20-21-25(32)26(23-24)33-30(39)34-35-31-36(5-2)27-18-15-16-19-28(27)37(31)6-3/h15-16,18-21,23H,4-14,17,22H2,1-3H3,(H2,33,34,39)