O-[3-(1H-imidazol-5-yl)propyl] N-phenylcarbamothioate

Systemtic Name: O-[3-(1H-imidazol-5-yl)propyl] N-phenylcarbamothioate Openeye Name: O-[3-(1H-imidazol-5-yl)propyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[3-(1H-imidazol-5-yl)propyl] ester IUPAC Name: O-[3-(1H-imidazol-5-yl)propyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[3-(1H-imidazol-5-yl)propyl] ester Formula: C13H15N3OS MolecularWeight: 261.3427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)OCCCC2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)OCCCC2=CN=CN2

InChI

InChI=1S/C13H15N3OS/c18-13(16-11-5-2-1-3-6-11)17-8-4-7-12-9-14-10-15-12/h1-3,5-6,9-10H,4,7-8H2,(H,14,15)(H,16,18)