S-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]] N-methyl-N-octadecyl-carbamothioate

Systemtic Name: S-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]] N-methyl-N-octadecyl-carbamothioate Openeye Name: S-[1-(3-acetamidophenyl)tetrazol-5-yl] N-methyl-N-octadecyl-carbamothioate CAS Name: N-methyl-N-octadecylcarbamothioic acid S-[[1-(3-acetamidophenyl)-5-tetrazolyl]] ester IUPAC Name: S-[1-(3-acetamidophenyl)tetrazol-5-yl] N-methyl-N-octadecylcarbamothioate Traditional Name: N-methyl-N-stearyl-thiocarbamic acid S-[1-(3-acetamidophenyl)tetrazol-5-yl] ester Formula: C29H48N6O2S MolecularWeight: 544.79542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)SC1=NN=NN1C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)SC1=NN=NN1C2=CC(=CC=C2)NC(=O)C

InChI

InChI=1S/C29H48N6O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34(3)29(37)38-28-31-32-33-35(28)27-22-20-21-26(24-27)30-25(2)36/h20-22,24H,4-19,23H2,1-3H3,(H,30,36)