(3-azanyl-3-oxidanylidene-propyl) N-phenethylcarbamodithioate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) N-phenethylcarbamodithioate Openeye Name: (3-amino-3-oxo-propyl) N-phenethylcarbamodithioate CAS Name: N-phenethylcarbamodithioic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) N-phenethylcarbamodithioate Traditional Name: N-phenethylcarbamodithioic acid (3-amino-3-keto-propyl) ester Formula: C12H16N2OS2 MolecularWeight: 268.39824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)SCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)SCCC(=O)N

InChI

InChI=1S/C12H16N2OS2/c13-11(15)7-9-17-12(16)14-8-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,15)(H,14,16)