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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)C(=S)NCCC2=CN=CN2)OC

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)C(=S)NCCC2=CN=CN2)OC

InChI

InChI=1S/C18H25N3OS/c1-3-4-5-6-14-11-15(7-8-17(14)22-2)18(23)20-10-9-16-12-19-13-21-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,19,21)(H,20,23)