4-[4-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]piperazin-1-yl]aniline

Systemtic Name: 4-[4-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]piperazin-1-yl]aniline Openeye Name: 4-[4-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]piperazin-1-yl]aniline CAS Name: 4-[4-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]-1-piperazinyl]aniline IUPAC Name: 4-[4-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]piperazin-1-yl]aniline Traditional Name: [4-[4-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]piperazino]phenyl]amine Formula: C29H32ClN5S MolecularWeight: 518.11588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)N)C3=CC=C(C=C3)SC(CCC4=CC=C(C=C4)Cl)CN5C=CN=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)N)C3=CC=C(C=C3)SC(CCC4=CC=C(C=C4)Cl)CN5C=CN=C5

InChI

InChI=1S/C29H32ClN5S/c30-24-4-1-23(2-5-24)3-12-29(21-33-16-15-32-22-33)36-28-13-10-27(11-14-28)35-19-17-34(18-20-35)26-8-6-25(31)7-9-26/h1-2,4-11,13-16,22,29H,3,12,17-21,31H2