N-(3-imidazol-1-ylpropyl)-2-phenyl-ethanethioamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-phenyl-ethanethioamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-phenyl-thioacetamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-phenylethanethioamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-phenylethanethioamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-phenyl-thioacetamide Formula: C14H17N3S MolecularWeight: 259.36988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=S)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(=S)NCCCN2C=CN=C2

InChI

InChI=1S/C14H17N3S/c18-14(11-13-5-2-1-3-6-13)16-7-4-9-17-10-8-15-12-17/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,16,18)