dodecyl 3-[[[5,6-bis(chloranyl)-1,3-diethyl-benzimidazol-2-ylidene]amino]carbamoylamino]-4-chloranyl-benzoate

Systemtic Name: dodecyl 3-[[[5,6-bis(chloranyl)-1,3-diethyl-benzimidazol-2-ylidene]amino]carbamoylamino]-4-chloranyl-benzoate Openeye Name: dodecyl 4-chloro-3-[[(5,6-dichloro-1,3-diethyl-benzimidazol-2-ylidene)amino]carbamoylamino]benzoate CAS Name: 4-chloro-3-[[[2-(5,6-dichloro-1,3-diethyl-2-benzimidazolylidene)hydrazinyl]-oxomethyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[(5,6-dichloro-1,3-diethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate Traditional Name: 4-chloro-3-[[(5,6-dichloro-1,3-diethyl-benzimidazol-2-ylidene)amino]carbamoylamino]benzoic acid lauryl ester Formula: C31H42Cl3N5O3 MolecularWeight: 639.05588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42Cl3N5O3/c1-4-7-8-9-10-11-12-13-14-15-18-42-29(40)22-16-17-23(32)26(19-22)35-30(41)36-37-31-38(5-2)27-20-24(33)25(34)21-28(27)39(31)6-3/h16-17,19-21H,4-15,18H2,1-3H3,(H2,35,36,41)