2-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-3-pentyl-benzenecarbothioamide

Systemtic Name: 2-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-3-pentyl-benzenecarbothioamide Openeye Name: 2-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-3-pentyl-benzenecarbothioamide CAS Name: 2-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-3-pentylbenzenecarbothioamide IUPAC Name: 2-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-3-pentylbenzenecarbothioamide Traditional Name: 3-amyl-2-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-thiobenzamide Formula: C18H25N3OS MolecularWeight: 331.4756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1CCC2=CN=CN2)C(=S)N)OC

Isomeric SMILES

CCCCCC1=C(C=CC(=C1CCC2=CN=CN2)C(=S)N)OC

InChI

InChI=1S/C18H25N3OS/c1-3-4-5-6-15-14(8-7-13-11-20-12-21-13)16(18(19)23)9-10-17(15)22-2/h9-12H,3-8H2,1-2H3,(H2,19,23)(H,20,21)