1-cyclohexyl-1-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea

Systemtic Name: 1-cyclohexyl-1-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea Openeye Name: 1-cyclohexyl-1-(2-dodecyltetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea CAS Name: 1-cyclohexyl-1-(2-dodecyl-5-tetrazolyl)-3-(2,4,6-trimethoxyphenyl)urea IUPAC Name: 1-cyclohexyl-1-(2-dodecyltetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea Traditional Name: 1-cyclohexyl-1-(2-lauryltetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea Formula: C29H48N6O4 MolecularWeight: 544.72922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1N=C(N=N1)N(C2CCCCC2)C(=O)NC3=C(C=C(C=C3OC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCN1N=C(N=N1)N(C2CCCCC2)C(=O)NC3=C(C=C(C=C3OC)OC)OC

InChI

InChI=1S/C29H48N6O4/c1-5-6-7-8-9-10-11-12-13-17-20-34-32-28(31-33-34)35(23-18-15-14-16-19-23)29(36)30-27-25(38-3)21-24(37-2)22-26(27)39-4/h21-23H,5-20H2,1-4H3,(H,30,36)