S-[3-(6-cyanohexoxy)-4-ethanoyl-2-propyl-phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[3-(6-cyanohexoxy)-4-ethanoyl-2-propyl-phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[4-acetyl-3-(6-cyanohexoxy)-2-propyl-phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[4-acetyl-3-(6-cyanohexoxy)-2-propylphenyl] ester IUPAC Name: S-[4-acetyl-3-(6-cyanohexoxy)-2-propylphenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[4-acetyl-3-(6-cyanohexoxy)-2-propyl-phenyl] ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCCCCC#N)C(=O)C)SC(=O)N(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCCCCC#N)C(=O)C)SC(=O)N(C)C

InChI

InChI=1S/C21H30N2O3S/c1-5-11-18-19(27-21(25)23(3)4)13-12-17(16(2)24)20(18)26-15-10-8-6-7-9-14-22/h12-13H,5-11,15H2,1-4H3