1-[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]-3-[(1,3-diethylbenzimidazol-2-ylidene)amino]urea

Systemtic Name: 1-[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]-3-[(1,3-diethylbenzimidazol-2-ylidene)amino]urea Openeye Name: 1-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-3-[(1,3-diethylbenzimidazol-2-ylidene)amino]urea CAS Name: 1-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-3-[(1,3-diethyl-2-benzimidazolylidene)amino]urea IUPAC Name: 1-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-3-[(1,3-diethylbenzimidazol-2-ylidene)amino]urea Traditional Name: 1-[5-(cetylsulfonylamino)-2-chloro-phenyl]-3-[(1,3-diethylbenzimidazol-2-ylidene)amino]urea Formula: C34H53ClN6O3S MolecularWeight: 661.34102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)NN=C2N(C3=CC=CC=C3N2CC)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)NN=C2N(C3=CC=CC=C3N2CC)CC

InChI

InChI=1S/C34H53ClN6O3S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-26-45(43,44)39-28-24-25-29(35)30(27-28)36-33(42)37-38-34-40(5-2)31-22-19-20-23-32(31)41(34)6-3/h19-20,22-25,27,39H,4-18,21,26H2,1-3H3,(H2,36,37,42)