3-(1H-imidazol-5-yl)propyl N'-(3-phenylpropyl)carbamimidothioate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-(3-phenylpropyl)carbamimidothioate Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-(3-phenylpropyl)isothiourea CAS Name: N'-(3-phenylpropyl)carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-(3-phenylpropyl)carbamimidothioate Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-(3-phenylpropyl)isothiourea Formula: C16H22N4S MolecularWeight: 302.43768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN=C(N)SCCCC2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)CCCN=C(N)SCCCC2=CN=CN2

InChI

InChI=1S/C16H22N4S/c17-16(21-11-5-9-15-12-18-13-20-15)19-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H2,17,19)(H,18,20)