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

Systemtic Name: 2-[2-(1H-imidazol-5-yl)ethyl]-4-pentoxy-3-pentyl-benzenecarbothioamide Openeye Name: 2-[2-(1H-imidazol-5-yl)ethyl]-4-pentoxy-3-pentyl-benzenecarbothioamide CAS Name: 2-[2-(1H-imidazol-5-yl)ethyl]-4-pentoxy-3-pentylbenzenecarbothioamide IUPAC Name: 2-[2-(1H-imidazol-5-yl)ethyl]-4-pentoxy-3-pentylbenzenecarbothioamide Traditional Name: 4-amoxy-3-amyl-2-[2-(1H-imidazol-5-yl)ethyl]thiobenzamide Formula: C22H33N3OS MolecularWeight: 387.58192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3OS/c1-3-5-7-9-19-18(11-10-17-15-24-16-25-17)20(22(23)27)12-13-21(19)26-14-8-6-4-2/h12-13,15-16H,3-11,14H2,1-2H3,(H2,23,27)(H,24,25)