1-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]-1,3-diazinane-2-thione

Systemtic Name: 1-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]-1,3-diazinane-2-thione Openeye Name: 1-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]hexahydropyrimidine-2-thione CAS Name: 1-[4-[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]oxyphenyl]-1,3-diazinane-2-thione IUPAC Name: 1-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-1,3-diazinane-2-thione Traditional Name: 1-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]hexahydropyrimidine-2-thione Formula: C23H25ClN4OS MolecularWeight: 440.9888

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=S)N(C1)C2=CC=C(C=C2)OC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

Isomeric SMILES

C1CNC(=S)N(C1)C2=CC=C(C=C2)OC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

InChI

InChI=1S/C23H25ClN4OS/c24-19-5-2-18(3-6-19)4-9-22(16-27-15-13-25-17-27)29-21-10-7-20(8-11-21)28-14-1-12-26-23(28)30/h2-3,5-8,10-11,13,15,17,22H,1,4,9,12,14,16H2,(H,26,30)