2-chloranylprop-2-enyl N,N-diethylcarbamodithioate; S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate

Systemtic Name: 2-chloranylprop-2-enyl N,N-diethylcarbamodithioate; S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate Openeye Name: 2-chloroallyl N,N-diethylcarbamodithioate; S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamodithioic acid 2-chloroprop-2-enyl ester; N,N-diethylcarbamothioic acid S-[(4-chlorophenyl)methyl] ester IUPAC Name: S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate; 2-chloroprop-2-enyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid 2-chloroallyl ester; N,N-diethylthiocarbamic acid S-(4-chlorobenzyl) ester Formula: C20H30Cl2N2OS3 MolecularWeight: 481.566

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl.CCN(CC)C(=S)SCC(=C)Cl

Isomeric SMILES

CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl.CCN(CC)C(=S)SCC(=C)Cl

InChI

InChI=1S/C12H16ClNOS.C8H14ClNS2/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10;1-4-10(5-2)8(11)12-6-7(3)9/h5-8H,3-4,9H2,1-2H3;3-6H2,1-2H3