1-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]-4-methyl-piperazine-2-carbothialdehyde

Systemtic Name: 1-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]-4-methyl-piperazine-2-carbothialdehyde Openeye Name: 1-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]-4-methyl-piperazine-2-carbothialdehyde CAS Name: 1-[4-[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]oxyphenyl]-4-methyl-2-piperazinecarbothioaldehyde IUPAC Name: 1-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-4-methylpiperazine-2-carbothialdehyde Traditional Name: 1-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]-4-methyl-piperazine-2-carbothialdehyde Formula: C25H29ClN4OS MolecularWeight: 469.04196

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C=S)C2=CC=C(C=C2)OC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

Isomeric SMILES

CN1CCN(C(C1)C=S)C2=CC=C(C=C2)OC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

InChI

InChI=1S/C25H29ClN4OS/c1-28-14-15-30(23(16-28)18-32)22-7-10-24(11-8-22)31-25(17-29-13-12-27-19-29)9-4-20-2-5-21(26)6-3-20/h2-3,5-8,10-13,18-19,23,25H,4,9,14-17H2,1H3