S-(dimethylamino) 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]piperazine-1-carbothioate

Systemtic Name: S-(dimethylamino) 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]piperazine-1-carbothioate Openeye Name: S-(dimethylamino) 4-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]piperazine-1-carbothioate CAS Name: 4-[4-[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]oxyphenyl]-1-piperazinecarbothioic acid S-(dimethylamino) ester IUPAC Name: S-(dimethylamino) 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]piperazine-1-carbothioate Traditional Name: 4-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]piperazine-1-carbothioic acid S-(dimethylamino) ester Formula: C26H32ClN5O2S MolecularWeight: 514.08258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)SC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

Isomeric SMILES

CN(C)SC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

InChI

InChI=1S/C26H32ClN5O2S/c1-29(2)35-26(33)32-17-15-31(16-18-32)23-8-11-24(12-9-23)34-25(19-30-14-13-28-20-30)10-5-21-3-6-22(27)7-4-21/h3-4,6-9,11-14,20,25H,5,10,15-19H2,1-2H3