6-[[2-(4-chlorophenyl)-6-(4-imidazol-1-ylbutylsulfanyl)phenyl]amino]hexan-2-one

Systemtic Name: 6-[[2-(4-chlorophenyl)-6-(4-imidazol-1-ylbutylsulfanyl)phenyl]amino]hexan-2-one Openeye Name: 6-[2-(4-chlorophenyl)-6-(4-imidazol-1-ylbutylsulfanyl)anilino]hexan-2-one CAS Name: 6-[2-(4-chlorophenyl)-6-[4-(1-imidazolyl)butylthio]anilino]-2-hexanone IUPAC Name: 6-[2-(4-chlorophenyl)-6-(4-imidazol-1-ylbutylsulfanyl)anilino]hexan-2-one Traditional Name: 6-[2-(4-chlorophenyl)-6-(4-imidazol-1-ylbutylthio)anilino]hexan-2-one Formula: C25H30ClN3OS MolecularWeight: 456.0432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCNC1=C(C=CC=C1SCCCCN2C=CN=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)CCCCNC1=C(C=CC=C1SCCCCN2C=CN=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H30ClN3OS/c1-20(30)7-2-3-14-28-25-23(21-10-12-22(26)13-11-21)8-6-9-24(25)31-18-5-4-16-29-17-15-27-19-29/h6,8-13,15,17,19,28H,2-5,7,14,16,18H2,1H3