O-(phenylmethyl) N,N-bis[(E)-3-chloranylprop-2-enyl]carbamothioate

Systemtic Name: O-(phenylmethyl) N,N-bis[(E)-3-chloranylprop-2-enyl]carbamothioate Openeye Name: O-benzyl N,N-bis[(E)-3-chloroallyl]carbamothioate CAS Name: N,N-bis[(E)-3-chloroprop-2-enyl]carbamothioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl N,N-bis[(E)-3-chloroprop-2-enyl]carbamothioate Traditional Name: N,N-bis[(E)-3-chloroallyl]thiocarbamic acid O-benzyl ester Formula: C14H15Cl2NOS MolecularWeight: 316.246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=S)N(CC=CCl)CC=CCl

Isomeric SMILES

C1=CC=C(C=C1)COC(=S)N(C/C=C/Cl)C/C=C/Cl

InChI

InChI=1S/C14H15Cl2NOS/c15-8-4-10-17(11-5-9-16)14(19)18-12-13-6-2-1-3-7-13/h1-9H,10-12H2/b8-4+,9-5+