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

Systemtic Name: 1-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-1-heptyl-3-(2,4,6-trimethoxyphenyl)urea Openeye Name: 1-(2-dodecyltetrazol-5-yl)-1-heptyl-3-(2,4,6-trimethoxyphenyl)urea CAS Name: 1-(2-dodecyl-5-tetrazolyl)-1-heptyl-3-(2,4,6-trimethoxyphenyl)urea IUPAC Name: 1-(2-dodecyltetrazol-5-yl)-1-heptyl-3-(2,4,6-trimethoxyphenyl)urea Traditional Name: 1-heptyl-1-(2-lauryltetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea Formula: C30H52N6O4 MolecularWeight: 560.77168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1N=C(N=N1)N(CCCCCCC)C(=O)NC2=C(C=C(C=C2OC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCN1N=C(N=N1)N(CCCCCCC)C(=O)NC2=C(C=C(C=C2OC)OC)OC

InChI

InChI=1S/C30H52N6O4/c1-6-8-10-12-13-14-15-16-18-20-22-36-33-29(32-34-36)35(21-19-17-11-9-7-2)30(37)31-28-26(39-4)23-25(38-3)24-27(28)40-5/h23-24H,6-22H2,1-5H3,(H,31,37)