O-[2-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] N,N-dimethylcarbamothioate

Systemtic Name: O-[2-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] N,N-dimethylcarbamothioate Openeye Name: O-[2-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid O-[2-[5-(4-decylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: O-[2-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-[2-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C29H37N3OS MolecularWeight: 475.68858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=CC=C3OC(=S)N(C)C

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=CC=C3OC(=S)N(C)C

InChI

InChI=1S/C29H37N3OS/c1-4-5-6-7-8-9-10-11-14-23-17-19-24(20-18-23)25-21-30-28(31-22-25)26-15-12-13-16-27(26)33-29(34)32(2)3/h12-13,15-22H,4-11,14H2,1-3H3