O-[2-[3-(2,4-dimethylphenyl)-5-methyl-4-sulfanylidene-1,3,5-triazinan-1-yl]ethyl] N-phenylcarbamothioate

Systemtic Name: O-[2-[3-(2,4-dimethylphenyl)-5-methyl-4-sulfanylidene-1,3,5-triazinan-1-yl]ethyl] N-phenylcarbamothioate Openeye Name: O-[2-[3-(2,4-dimethylphenyl)-5-methyl-4-thioxo-1,3,5-triazinan-1-yl]ethyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[2-[3-(2,4-dimethylphenyl)-5-methyl-4-sulfanylidene-1,3,5-triazinan-1-yl]ethyl] ester IUPAC Name: O-[2-[3-(2,4-dimethylphenyl)-5-methyl-4-sulfanylidene-1,3,5-triazinan-1-yl]ethyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[2-[3-(2,4-dimethylphenyl)-5-methyl-4-thioxo-1,3,5-triazinan-1-yl]ethyl] ester Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CN(CN(C2=S)C)CCOC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CN(CN(C2=S)C)CCOC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4OS2/c1-16-9-10-19(17(2)13-16)25-15-24(14-23(3)21(25)28)11-12-26-20(27)22-18-7-5-4-6-8-18/h4-10,13H,11-12,14-15H2,1-3H3,(H,22,27)