N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]-N-methyl-methanethioamide

Systemtic Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]-N-methyl-methanethioamide Openeye Name: N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]-N-methyl-thioformamide CAS Name: N-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]-N-methylmethanethioamide IUPAC Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]-N-methylmethanethioamide Traditional Name: N-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]-N-methyl-thioformamide Formula: C21H22ClN3S2 MolecularWeight: 416.00248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C=S)C1=CC=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

Isomeric SMILES

CN(C=S)C1=CC=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C21H22ClN3S2/c1-24(16-26)19-7-10-20(11-8-19)27-21(14-25-13-12-23-15-25)9-4-17-2-5-18(22)6-3-17/h2-3,5-8,10-13,15-16,21H,4,9,14H2,1H3