S-[2-(4-chlorophenyl)-6-methyl-5-(2-methylprop-2-enyl)pyrimidin-4-yl] N,N-diethylcarbamothioate

Systemtic Name: S-[2-(4-chlorophenyl)-6-methyl-5-(2-methylprop-2-enyl)pyrimidin-4-yl] N,N-diethylcarbamothioate Openeye Name: S-[2-(4-chlorophenyl)-6-methyl-5-(2-methylallyl)pyrimidin-4-yl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid S-[[2-(4-chlorophenyl)-6-methyl-5-(2-methylprop-2-enyl)-4-pyrimidinyl]] ester IUPAC Name: S-[2-(4-chlorophenyl)-6-methyl-5-(2-methylprop-2-enyl)pyrimidin-4-yl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid S-[2-(4-chlorophenyl)-6-methyl-5-(2-methylallyl)pyrimidin-4-yl] ester Formula: C20H24ClN3OS MolecularWeight: 389.94206

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SC1=NC(=NC(=C1CC(=C)C)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC)C(=O)SC1=NC(=NC(=C1CC(=C)C)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H24ClN3OS/c1-6-24(7-2)20(25)26-19-17(12-13(3)4)14(5)22-18(23-19)15-8-10-16(21)11-9-15/h8-11H,3,6-7,12H2,1-2,4-5H3