S-prop-2-enyl N-[(E)-3-chloranylprop-2-enyl]-N-(phenylmethyl)carbamothioate

Systemtic Name: S-prop-2-enyl N-[(E)-3-chloranylprop-2-enyl]-N-(phenylmethyl)carbamothioate Openeye Name: S-allyl N-benzyl-N-[(E)-3-chloroallyl]carbamothioate CAS Name: N-[(E)-3-chloroprop-2-enyl]-N-(phenylmethyl)carbamothioic acid S-prop-2-enyl ester IUPAC Name: S-prop-2-enyl N-benzyl-N-[(E)-3-chloroprop-2-enyl]carbamothioate Traditional Name: N-benzyl-N-[(E)-3-chloroallyl]thiocarbamic acid S-allyl ester Formula: C14H16ClNOS MolecularWeight: 281.80094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(=O)N(CC=CCl)CC1=CC=CC=C1

Isomeric SMILES

C=CCSC(=O)N(C/C=C/Cl)CC1=CC=CC=C1

InChI

InChI=1S/C14H16ClNOS/c1-2-11-18-14(17)16(10-6-9-15)12-13-7-4-3-5-8-13/h2-9H,1,10-12H2/b9-6+