S-[3-(1H-imidazol-5-yl)propyl] N-[(4-chlorophenyl)methyl]carbamothioate

Systemtic Name: S-[3-(1H-imidazol-5-yl)propyl] N-[(4-chlorophenyl)methyl]carbamothioate Openeye Name: S-[3-(1H-imidazol-5-yl)propyl] N-[(4-chlorophenyl)methyl]carbamothioate CAS Name: N-[(4-chlorophenyl)methyl]carbamothioic acid S-[3-(1H-imidazol-5-yl)propyl] ester IUPAC Name: S-[3-(1H-imidazol-5-yl)propyl] N-[(4-chlorophenyl)methyl]carbamothioate Traditional Name: N-(4-chlorobenzyl)thiocarbamic acid S-[3-(1H-imidazol-5-yl)propyl] ester Formula: C14H16ClN3OS MolecularWeight: 309.81434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)SCCCC2=CN=CN2)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)SCCCC2=CN=CN2)Cl

InChI

InChI=1S/C14H16ClN3OS/c15-12-5-3-11(4-6-12)8-17-14(19)20-7-1-2-13-9-16-10-18-13/h3-6,9-10H,1-2,7-8H2,(H,16,18)(H,17,19)